CID 51493

72017-49-3

Structural Information

Molecular Formula
C32H66N2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C32H66N2/c1-25-15-13-21-31(5,6)29(25)19-17-27(3)33(9,10)23-24-34(11,12)28(4)18-20-30-26(2)16-14-22-32(30,7)8/h25-30H,13-24H2,1-12H3/q+2
InChIKey
UQYKNBGHIBWGDV-UHFFFAOYSA-N
Compound name
2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]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

478.5226 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.52988 216.7
[M+Na]+ 501.51182 214.3
[M-H]- 477.51532 222.4
[M+NH4]+ 496.55642 229.4
[M+K]+ 517.48576 201.5
[M+H-H2O]+ 461.51986 215.7
[M+HCOO]- 523.52080 225.2
[M+CH3COO]- 537.53645 245.1
[M+Na-2H]- 499.49727 216.8
[M]+ 478.52205 212.4
[M]- 478.52315 212.4
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.