CID 48049

66827-14-3

Structural Information

Molecular Formula
C35H72N2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C35H72N2/c1-28-18-16-24-34(5,6)32(28)22-20-30(3)36(9,10)26-14-13-15-27-37(11,12)31(4)21-23-33-29(2)19-17-25-35(33,7)8/h28-33H,13-27H2,1-12H3/q+2
InChIKey
DJCKKFIVKRQZOU-UHFFFAOYSA-N
Compound name
5-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5696 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.57688 229.7
[M+Na]+ 543.55882 226.1
[M-H]- 519.56232 234.8
[M+NH4]+ 538.60342 240.7
[M+K]+ 559.53276 212.6
[M+H-H2O]+ 503.56686 228.2
[M+HCOO]- 565.56780 237.2
[M+CH3COO]- 579.58345 253.7
[M+Na-2H]- 541.54427 228.4
[M]+ 520.56905 226.5
[M]- 520.57015 226.5
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.