CID 5324808

2-methyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
CC1=NC(=CO1)C#N
InChI
InChI=1S/C5H4N2O/c1-4-7-5(2-6)3-8-4/h3H,1H3
InChIKey
NVFTYSPOXDAKMQ-UHFFFAOYSA-N
Compound name
2-methyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

108.032364 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.039640 114.6
[M+Na]+ 131.021582 126.2
[M-H]- 107.025088 117.3
[M+NH4]+ 126.066187 134.5
[M+K]+ 146.995522 125.9
[M+H-H2O]+ 91.029624 102.0
[M+HCOO]- 153.030565 135.4
[M+CH3COO]- 167.046215 180.0
[M+Na-2H]- 129.007030 122.5
[M]+ 108.03181542 111.3
[M]- 108.03291258 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