CID 258181

5-amino-3-ethyl-4-isoxazolecarbonitrile

Structural Information

Molecular Formula
C6H7N3O
SMILES
CCC1=NOC(=C1C#N)N
InChI
InChI=1S/C6H7N3O/c1-2-5-4(3-7)6(8)10-9-5/h2,8H2,1H3
InChIKey
HUMZBZPHPPOKLT-UHFFFAOYSA-N
Compound name
5-amino-3-ethyl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 124.5
[M+Na]+ 160.04813 135.5
[M-H]- 136.05163 126.8
[M+NH4]+ 155.09273 143.0
[M+K]+ 176.02207 134.9
[M+H-H2O]+ 120.05617 111.5
[M+HCOO]- 182.05711 145.2
[M+CH3COO]- 196.07276 187.5
[M+Na-2H]- 158.03358 130.4
[M]+ 137.05836 120.2
[M]- 137.05946 120.2
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