CID 48302

66902-75-8

Structural Information

Molecular Formula
C34H66N2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CC#CC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C34H66N2/c1-27-17-15-23-33(5,6)31(27)21-19-29(3)35(9,10)25-13-14-26-36(11,12)30(4)20-22-32-28(2)18-16-24-34(32,7)8/h27-32H,15-26H2,1-12H3/q+2
InChIKey
HVDZGDZICYPBRQ-UHFFFAOYSA-N
Compound name
4-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]but-2-ynyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.5226 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.52988 225.8
[M+Na]+ 525.51182 227.2
[M-H]- 501.51532 230.1
[M+NH4]+ 520.55642 236.4
[M+K]+ 541.48576 210.9
[M+H-H2O]+ 485.51986 218.9
[M+HCOO]- 547.52080 229.8
[M+CH3COO]- 561.53645 248.9
[M+Na-2H]- 523.49727 223.9
[M]+ 502.52205 216.7
[M]- 502.52315 216.7
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.