CID 23615

7208-89-1

Structural Information

Molecular Formula
C34H74N2
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC
InChI
InChI=1S/C34H74N2/c1-7-9-11-13-15-17-19-21-23-27-31-35(3,4)33-29-25-26-30-34-36(5,6)32-28-24-22-20-18-16-14-12-10-8-2/h7-34H2,1-6H3/q+2
InChIKey
RWRBPONYOROPPI-UHFFFAOYSA-N
Compound name
dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

82
Patents

510.5852 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.59248 282.9
[M+Na]+ 533.57442 288.8
[M-H]- 509.57792 271.0
[M+NH4]+ 528.61902 281.6
[M+K]+ 549.54836 286.7
[M+H-H2O]+ 493.58246 268.7
[M+HCOO]- 555.58340 299.1
[M+CH3COO]- 569.59905 254.0
[M+Na-2H]- 531.55987 265.1
[M]+ 510.58465 281.6
[M]- 510.58575 281.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe