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

1964
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

literature stripe

Patent stripe

patents stripe