CID 43616335

27179-37-9

Structural Information

Molecular Formula
C7H7N3O
SMILES
C=CC(=O)NC1=NC=CC=N1
InChI
InChI=1S/C7H7N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2-5H,1H2,(H,8,9,10,11)
InChIKey
FGEDRFMNXTYBSY-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

149.05891 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 129.2
[M+Na]+ 172.04813 137.0
[M-H]- 148.05163 130.2
[M+NH4]+ 167.09273 147.2
[M+K]+ 188.02207 135.0
[M+H-H2O]+ 132.05617 121.7
[M+HCOO]- 194.05711 152.5
[M+CH3COO]- 208.07276 175.9
[M+Na-2H]- 170.03358 137.8
[M]+ 149.05836 128.0
[M]- 149.05946 128.0
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