CID 43616346

N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC(=NC(=N1)NC(=O)C=C)C
InChI
InChI=1S/C9H11N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h4-5H,1H2,2-3H3,(H,10,11,12,13)
InChIKey
JQXNDJCGNFXPDK-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 138.0
[M+Na]+ 200.07943 147.0
[M-H]- 176.08293 139.5
[M+NH4]+ 195.12403 155.7
[M+K]+ 216.05337 144.5
[M+H-H2O]+ 160.08747 130.8
[M+HCOO]- 222.08841 160.7
[M+CH3COO]- 236.10406 184.2
[M+Na-2H]- 198.06488 144.1
[M]+ 177.08966 138.4
[M]- 177.09076 138.4
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

No patent data available for this compound.