CID 82475

Dtxsid70889586

Structural Information

Molecular Formula
C31H68N2O
SMILES
CCCCCCCCCCCC[N+](C)(C)CC(C[N+](C)(C)CCCCCCCCCCCC)O
InChI
InChI=1S/C31H68N2O/c1-7-9-11-13-15-17-19-21-23-25-27-32(3,4)29-31(34)30-33(5,6)28-26-24-22-20-18-16-14-12-10-8-2/h31,34H,7-30H2,1-6H3/q+2
InChIKey
MJGIKTHVNBAISO-UHFFFAOYSA-N
Compound name
dodecyl-[3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

620
Patents

484.53317 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.54045 268.8
[M+Na]+ 507.52239 274.4
[M-H]- 483.52589 259.9
[M+NH4]+ 502.56699 267.8
[M+K]+ 523.49633 271.6
[M+H-H2O]+ 467.53043 254.8
[M+HCOO]- 529.53137 282.3
[M+CH3COO]- 543.54702 244.5
[M+Na-2H]- 505.50784 252.3
[M]+ 484.53262 266.5
[M]- 484.53372 266.5
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

patents stripe