CID 44119664

55242-84-7

Structural Information

Molecular Formula
C4H2N2O
SMILES
C1=C(N=CO1)C#N
InChI
InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H
InChIKey
UEEBKQWDBWDPKD-UHFFFAOYSA-N
Compound name
1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

277
Patents

94.016716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.023992 110.8
[M+Na]+ 117.00593 122.0
[M-H]- 93.009440 113.3
[M+NH4]+ 112.05054 130.9
[M+K]+ 132.97987 121.9
[M+H-H2O]+ 77.013976 98.1
[M+HCOO]- 139.01492 131.9
[M+CH3COO]- 153.03057 176.4
[M+Na-2H]- 114.99138 119.8
[M]+ 94.016167 106.9
[M]- 94.017265 106.9
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