CID 105668

Palmitamidopropylamine oxide

Structural Information

Molecular Formula
C21H44N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C21H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2,3)25/h4-20H2,1-3H3,(H,22,24)
InChIKey
PBWFDNJGWNCAPS-UHFFFAOYSA-N
Compound name
3-(hexadecanoylamino)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

607
Patents

356.34027 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.34755 199.4
[M+Na]+ 379.32949 231.6
[M-H]- 355.33299 215.4
[M+NH4]+ 374.37409 223.0
[M+K]+ 395.30343 191.5
[M+H-H2O]+ 339.33753 196.9
[M+HCOO]- 401.33847 236.7
[M+CH3COO]- 415.35412 218.3
[M+Na-2H]- 377.31494 200.7
[M]+ 356.33972 221.0
[M]- 356.34082 221.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe