CID 178244198

2-hydroxy-n-(2-methylprop-2-enoyl)propan-1-imine oxide

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC(C=[N+](C(=O)C(=C)C)[O-])O

InChI

InChI=1S/C7H11NO3/c1-5(2)7(10)8(11)4-6(3)9/h4,6,9H,1H2,2-3H3

InChIKey

JTDHQARLFDUKKR-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(2-methylprop-2-enoyl)propan-1-imine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.0739 Da
Monoisotopic Mass: -0.1
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]+	158.081176	133.2
[M+Na]+	180.063118	139.1
[M-H]-	156.066624	132.3
[M+NH4]+	175.107723	152.7
[M+K]+	196.037058	134.5
[M+H-H2O]+	140.071160	133.7
[M+HCOO]-	202.072101	154.3
[M+CH3COO]-	216.087751	169.3
[M+Na-2H]-	178.048566	136.4
[M]+	157.07335142	129.8
[M]-	157.07444858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.