CID 14765771

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

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=CON=C1CC#N
InChI
InChI=1S/C5H4N2O/c6-3-1-5-2-4-8-7-5/h2,4H,1H2
InChIKey
NWDMJTUPXZATTC-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

108.032364 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 114.9
[M+Na]+ 131.02158 125.7
[M-H]- 107.02509 117.2
[M+NH4]+ 126.06619 134.5
[M+K]+ 146.99552 125.4
[M+H-H2O]+ 91.029624 102.0
[M+HCOO]- 153.03056 135.7
[M+CH3COO]- 167.04622 179.1
[M+Na-2H]- 129.00703 123.4
[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

literature stripe

Patent stripe

patents stripe