CID 13138294

Dihydroxyethyl stearamine oxide

Structural Information

Molecular Formula
C22H47NO3
SMILES
CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)[O-]
InChI
InChI=1S/C22H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h24-25H,2-22H2,1H3
InChIKey
CBLJNXZOFGRDAC-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)octadecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2212
Patents

373.3556 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.36288 204.7
[M+Na]+ 396.34482 223.7
[M-H]- 372.34832 207.1
[M+NH4]+ 391.38942 215.0
[M+K]+ 412.31876 194.7
[M+H-H2O]+ 356.35286 202.6
[M+HCOO]- 418.35380 233.3
[M+CH3COO]- 432.36945 214.0
[M+Na-2H]- 394.33027 205.6
[M]+ 373.35505 217.5
[M]- 373.35615 217.5
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.