CID 70480

1003-52-7

Structural Information

Molecular Formula
C5H4N2O
SMILES
CC1=C(OC=N1)C#N
InChI
InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
InChIKey
JZSLPQXOLZCAME-UHFFFAOYSA-N
Compound name
4-methyl-1,3-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
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

literature stripe

Patent stripe

patents stripe