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

21
Patents

123.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 120.5
[M+Na]+ 146.032478 131.9
[M-H]- 122.035984 122.9
[M+NH4]+ 141.077083 139.4
[M+K]+ 162.006418 131.4
[M+H-H2O]+ 106.040520 107.6
[M+HCOO]- 168.041461 141.5
[M+CH3COO]- 182.057111 184.8
[M+Na-2H]- 144.017926 126.8
[M]+ 123.04271142 115.8
[M]- 123.04380858 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