CID 178244292

3-hydroxy-n-(2-hydroxyethyl)propan-1-imine oxide

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C(CO)C=[N+](CCO)[O-]

InChI

InChI=1S/C5H11NO3/c7-4-1-2-6(9)3-5-8/h2,7-8H,1,3-5H2

InChIKey

SVSLUGDSCPWRFR-UHFFFAOYSA-N

Compound name

3-hydroxy-N-(2-hydroxyethyl)propan-1-imine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.0739 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.081176	127.4
[M+Na]+	156.063118	133.5
[M-H]-	132.066624	125.0
[M+NH4]+	151.107723	147.3
[M+K]+	172.037058	128.3
[M+H-H2O]+	116.071160	127.8
[M+HCOO]-	178.072101	150.1
[M+CH3COO]-	192.087751	161.0
[M+Na-2H]-	154.048566	134.6
[M]+	133.07335142	124.8
[M]-	133.07444858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.