CID 312128

5-amino-1,2-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C4H3N3O
SMILES
C1=NOC(=C1C#N)N
InChI
InChI=1S/C4H3N3O/c5-1-3-2-7-8-4(3)6/h2H,6H2
InChIKey
HAZRYIRJNFYOLH-UHFFFAOYSA-N
Compound name
5-amino-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

109.02761 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.03489 116.4
[M+Na]+ 132.01683 127.4
[M-H]- 108.02033 118.6
[M+NH4]+ 127.06143 135.6
[M+K]+ 147.99077 127.1
[M+H-H2O]+ 92.024870 103.4
[M+HCOO]- 154.02581 137.7
[M+CH3COO]- 168.04146 181.0
[M+Na-2H]- 130.00228 123.9
[M]+ 109.02706 111.1
[M]- 109.02816 111.1
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