CID 305590

5-amino-3-methyl-1,2-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C5H5N3O
SMILES
CC1=NOC(=C1C#N)N
InChI
InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey
HWUGKLXAHRZZPN-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
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

literature stripe

Patent stripe

patents stripe