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

6
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 129.9
[M+Na]+ 172.04813 141.7
[M+NH4]+ 167.09273 137.0
[M+K]+ 188.02207 136.2
[M-H]- 148.05163 130.6
[M+Na-2H]- 170.03358 136.9
[M]+ 149.05836 131.4
[M]- 149.05946 131.4
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