CID 91310

25159-40-4

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
2
Annotation Hits

0
References

682
Patents

382.35593 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.36321 215.5
[M+Na]+ 405.34515 219.0
[M+NH4]+ 400.38975 221.5
[M+K]+ 421.31909 225.3
[M-H]- 381.34865 208.1
[M+Na-2H]- 403.33060 207.6
[M]+ 382.35538 215.0
[M]- 382.35648 215.0
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

No patent data available for this compound.