CID 48833

67011-27-2

Structural Information

Molecular Formula
C36H74N2
SMILES
CC1CCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCC2C(C)C)C)C(C)C
InChI
InChI=1S/C36H74N2/c1-27(2)33-21-17-29(5)35(33)23-19-31(7)37(9,10)25-15-13-14-16-26-38(11,12)32(8)20-24-36-30(6)18-22-34(36)28(3)4/h27-36H,13-26H2,1-12H3/q+2
InChIKey
PLVWIUVASWPPGH-UHFFFAOYSA-N
Compound name
6-[dimethyl-[4-(2-methyl-5-propan-2-ylcyclopentyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2-methyl-5-propan-2-ylcyclopentyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.5852 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.59248 245.5
[M+Na]+ 557.57442 240.8
[M-H]- 533.57792 251.2
[M+NH4]+ 552.61902 284.1
[M+K]+ 573.54836 226.8
[M+H-H2O]+ 517.58246 243.8
[M+HCOO]- 579.58340 292.8
[M+CH3COO]- 593.59905 257.7
[M+Na-2H]- 555.55987 237.1
[M]+ 534.58465 244.8
[M]- 534.58575 244.8
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.