CID 389297

Nsc685117

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC(=C)C1=NC(=C(O1)N)C#N
InChI
InChI=1S/C7H7N3O/c1-4(2)7-10-5(3-8)6(9)11-7/h1,9H2,2H3
InChIKey
NOPYWSARKNNISR-UHFFFAOYSA-N
Compound name
5-amino-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 130.5
[M+Na]+ 172.04813 141.1
[M-H]- 148.05163 132.8
[M+NH4]+ 167.09273 148.4
[M+K]+ 188.02207 140.0
[M+H-H2O]+ 132.05617 117.3
[M+HCOO]- 194.05711 150.1
[M+CH3COO]- 208.07276 190.3
[M+Na-2H]- 170.03358 134.6
[M]+ 149.05836 125.2
[M]- 149.05946 125.2
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

No patent data available for this compound.