CID 76959899

Stearamidopropylamine oxide

Structural Information

Molecular Formula
C23H47NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)[O-]
InChI
InChI=1S/C23H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)27-22-19-21-24(2,3)26/h4-22H2,1-3H3
InChIKey
UYPSRNLGLSAOPV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-octadecanoyloxypropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

655
Patents

385.3556 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.36288 219.4
[M+Na]+ 408.34482 225.2
[M-H]- 384.34832 208.4
[M+NH4]+ 403.38942 220.0
[M+K]+ 424.31876 224.4
[M+H-H2O]+ 368.35286 207.2
[M+HCOO]- 430.35380 233.4
[M+CH3COO]- 444.36945 221.5
[M+Na-2H]- 406.33027 207.5
[M]+ 385.35505 218.4
[M]- 385.35615 218.4
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.