CID 82418995

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

Structural Information

Molecular Formula
C4H3N3O
SMILES
C1=C(ON=C1N)C#N
InChI
InChI=1S/C4H3N3O/c5-2-3-1-4(6)7-8-3/h1H,(H2,6,7)
InChIKey
GTICSFWJWOXIJU-UHFFFAOYSA-N
Compound name
3-amino-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.02761 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.