CID 118248246

4-methyl-1,2-oxazole-5-carbonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
CC1=C(ON=C1)C#N
InChI
InChI=1S/C5H4N2O/c1-4-3-7-8-5(4)2-6/h3H,1H3
InChIKey
XWCJMGVRCAXUSA-UHFFFAOYSA-N
Compound name
4-methyl-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

108.032364 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 114.6
[M+Na]+ 131.02158 126.2
[M-H]- 107.02509 117.3
[M+NH4]+ 126.06619 134.5
[M+K]+ 146.99552 125.9
[M+H-H2O]+ 91.029624 102.0
[M+HCOO]- 153.03056 135.4
[M+CH3COO]- 167.04622 180.0
[M+Na-2H]- 129.00703 122.5
[M]+ 108.03182 111.3
[M]- 108.03291 111.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe