CID 48629

66967-67-7

Structural Information

Molecular Formula
C36H74N2O2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CCOCCOCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C36H74N2O2/c1-29-15-13-21-35(5,6)33(29)19-17-31(3)37(9,10)23-25-39-27-28-40-26-24-38(11,12)32(4)18-20-34-30(2)16-14-22-36(34,7)8/h29-34H,13-28H2,1-12H3/q+2
InChIKey
ZRWVMVYDENTNJP-UHFFFAOYSA-N
Compound name
2-[2-[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]ethoxy]ethoxy]ethyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.575 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.582276 242.2
[M+Na]+ 589.564218 237.8
[M-H]- 565.567724 246.8
[M+NH4]+ 584.608823 278.4
[M+K]+ 605.538158 225.3
[M+H-H2O]+ 549.572260 240.3
[M+HCOO]- 611.573201 294.8
[M+CH3COO]- 625.588851 260.0
[M+Na-2H]- 587.549666 241.2
[M]+ 566.57445142 242.0
[M]- 566.57554858 242.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.