CID 21104322

41808-52-0

Structural Information

Molecular Formula
C5H5N3O
SMILES
CC1=C(C(=NO1)N)C#N
InChI
InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)8-9-3/h1H3,(H2,7,8)
InChIKey
FUOSWYNQWUJBCS-UHFFFAOYSA-N
Compound name
3-amino-5-methyl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

123.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 120.5
[M+Na]+ 146.03248 131.9
[M-H]- 122.03598 122.9
[M+NH4]+ 141.07708 139.4
[M+K]+ 162.00642 131.4
[M+H-H2O]+ 106.04052 107.6
[M+HCOO]- 168.04146 141.5
[M+CH3COO]- 182.05711 184.8
[M+Na-2H]- 144.01793 126.8
[M]+ 123.04271 115.8
[M]- 123.04381 115.8
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