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]+ 567.58228 242.2
[M+Na]+ 589.56422 237.8
[M-H]- 565.56772 246.8
[M+NH4]+ 584.60882 278.4
[M+K]+ 605.53816 225.3
[M+H-H2O]+ 549.57226 240.3
[M+HCOO]- 611.57320 294.8
[M+CH3COO]- 625.58885 260.0
[M+Na-2H]- 587.54967 241.2
[M]+ 566.57445 242.0
[M]- 566.57555 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.