CID 138039887

2241131-10-0

Structural Information

Molecular Formula

C₅H₇ClN₂O

SMILES

C1=C(ON=C1CCl)CN

InChI

InChI=1S/C5H7ClN2O/c6-2-4-1-5(3-7)9-8-4/h1H,2-3,7H2

InChIKey

UAHLZAAJIRLYOE-UHFFFAOYSA-N

Compound name

[3-(chloromethyl)-1,2-oxazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.02469 Da
Monoisotopic Mass: -0.3
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]+	147.031966	126.8
[M+Na]+	169.013908	136.6
[M-H]-	145.017414	129.4
[M+NH4]+	164.058513	147.8
[M+K]+	184.987848	134.7
[M+H-H2O]+	129.021950	121.4
[M+HCOO]-	191.022891	147.0
[M+CH3COO]-	205.038541	173.0
[M+Na-2H]-	166.999356	133.6
[M]+	146.02414142	128.7
[M]-	146.02523858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.