CID 2763227

2763-94-2

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

COC1=NOC(=C1)CN

InChI

InChI=1S/C5H8N2O2/c1-8-5-2-4(3-6)9-7-5/h2H,3,6H2,1H3

InChIKey

IVMFFAPHOPXMAD-UHFFFAOYSA-N

Compound name

(3-methoxy-1,2-oxazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 128.05858 Da
Monoisotopic Mass: -0.4
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]+	129.065856	122.1
[M+Na]+	151.047798	131.2
[M-H]-	127.051304	125.1
[M+NH4]+	146.092403	143.1
[M+K]+	167.021738	131.8
[M+H-H2O]+	111.055840	116.1
[M+HCOO]-	173.056781	147.3
[M+CH3COO]-	187.072431	171.1
[M+Na-2H]-	149.033246	129.6
[M]+	128.05803142	123.8
[M]-	128.05912858	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe