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

9
Patents

149.05891 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 129.2
[M+Na]+ 172.048128 137.0
[M-H]- 148.051634 130.2
[M+NH4]+ 167.092733 147.2
[M+K]+ 188.022068 135.0
[M+H-H2O]+ 132.056170 121.7
[M+HCOO]- 194.057111 152.5
[M+CH3COO]- 208.072761 175.9
[M+Na-2H]- 170.033576 137.8
[M]+ 149.05836142 128.0
[M]- 149.05945858 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