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

5
Patents

137.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 124.5
[M+Na]+ 160.048128 135.5
[M-H]- 136.051634 126.8
[M+NH4]+ 155.092733 143.0
[M+K]+ 176.022068 134.9
[M+H-H2O]+ 120.056170 111.5
[M+HCOO]- 182.057111 145.2
[M+CH3COO]- 196.072761 187.5
[M+Na-2H]- 158.033576 130.4
[M]+ 137.05836142 120.2
[M]- 137.05945858 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