CID 48316

66902-85-0

Structural Information

Molecular Formula
C40H82N2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C40H82N2/c1-33-23-21-29-39(5,6)37(33)27-25-35(3)41(9,10)31-19-17-15-13-14-16-18-20-32-42(11,12)36(4)26-28-38-34(2)24-22-30-40(38,7)8/h33-38H,13-32H2,1-12H3/q+2
InChIKey
OOSKELJQCKGHGP-UHFFFAOYSA-N
Compound name
10-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]decyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.6478 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.65508 251.0
[M+Na]+ 613.63702 245.2
[M-H]- 589.64052 254.9
[M+NH4]+ 608.68162 291.9
[M+K]+ 629.61096 230.7
[M+H-H2O]+ 573.64506 248.6
[M+HCOO]- 635.64600 308.4
[M+CH3COO]- 649.66165 267.7
[M+Na-2H]- 611.62247 247.3
[M]+ 590.64725 249.5
[M]- 590.64835 249.5
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.