CID 48826

67011-22-7

Structural Information

Molecular Formula
C34H70N2O
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CCOCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C34H70N2O/c1-27-15-13-21-33(5,6)31(27)19-17-29(3)35(9,10)23-25-37-26-24-36(11,12)30(4)18-20-32-28(2)16-14-22-34(32,7)8/h27-32H,13-26H2,1-12H3/q+2
InChIKey
OGRAIZDKEBOTPJ-UHFFFAOYSA-N
Compound name
2-[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]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

522.5488 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.55608 229.6
[M+Na]+ 545.53802 226.2
[M-H]- 521.54152 234.8
[M+NH4]+ 540.58262 240.5
[M+K]+ 561.51196 213.6
[M+H-H2O]+ 505.54606 228.2
[M+HCOO]- 567.54700 237.6
[M+CH3COO]- 581.56265 252.6
[M+Na-2H]- 543.52347 229.2
[M]+ 522.54825 227.4
[M]- 522.54935 227.4
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.