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
3
Annotation Hits

0
References

704
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 228.8
[M+Na]+ 405.34515 236.5
[M-H]- 381.34865 220.0
[M+NH4]+ 400.38975 227.9
[M+K]+ 421.31909 234.3
[M+H-H2O]+ 365.35319 204.5
[M+HCOO]- 427.35413 241.3
[M+CH3COO]- 441.36978 222.6
[M+Na-2H]- 403.33060 207.6
[M]+ 382.35538 225.0
[M]- 382.35648 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