CID 82475

Damol

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

619
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 255.0
[M+Na]+ 507.52239 257.7
[M+NH4]+ 502.56699 259.8
[M+K]+ 523.49633 260.5
[M-H]- 483.52589 247.0
[M+Na-2H]- 505.50784 242.7
[M]+ 484.53262 253.9
[M]- 484.53372 253.9
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