CID 91310

N,n-dimethyl-3-(octadec-9-enoylamino)propan-1-amine oxide

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)
InChIKey
KNWLLDGCKIABQH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(octadec-9-enoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

619
Patents

382.35593 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.363206 228.8
[M+Na]+ 405.345148 236.5
[M-H]- 381.348654 220.0
[M+NH4]+ 400.389753 227.9
[M+K]+ 421.319088 234.3
[M+H-H2O]+ 365.353190 204.5
[M+HCOO]- 427.354131 241.3
[M+CH3COO]- 441.369781 222.6
[M+Na-2H]- 403.330596 207.6
[M]+ 382.35538142 225.0
[M]- 382.35647858 225.0
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