CID 23006338

2-(1,2-oxazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=C(C=NO1)CC#N
InChI
InChI=1S/C5H4N2O/c6-2-1-5-3-7-8-4-5/h3-4H,1H2
InChIKey
ZMJZNHYSDJGFMG-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

108.032364 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe