CID 84762527

35166-43-9

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

COC1=NOC(=C1)CC#N

InChI

InChI=1S/C6H6N2O2/c1-9-6-4-5(2-3-7)10-8-6/h4H,2H2,1H3

InChIKey

JIQWFBUWNFFDJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 138.04292 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]+	139.050196	120.8
[M+Na]+	161.032138	131.9
[M-H]-	137.035644	123.3
[M+NH4]+	156.076743	139.6
[M+K]+	177.006078	131.9
[M+H-H2O]+	121.040180	107.9
[M+HCOO]-	183.041121	141.5
[M+CH3COO]-	197.056771	184.6
[M+Na-2H]-	159.017586	128.3
[M]+	138.04237142	119.1
[M]-	138.04346858	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe