CID 33777454

1092299-26-7

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC1=NC=CC(=N1)/C=C/C(=O)O
InChI
InChI=1S/C8H8N2O2/c1-6-9-5-4-7(10-6)2-3-8(11)12/h2-5H,1H3,(H,11,12)/b3-2+
InChIKey
UUBVLXLSYTXLKB-NSCUHMNNSA-N
Compound name
(E)-3-(2-methylpyrimidin-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 132.9
[M+Na]+ 187.047798 141.7
[M-H]- 163.051304 132.8
[M+NH4]+ 182.092403 150.3
[M+K]+ 203.021738 139.2
[M+H-H2O]+ 147.055840 126.1
[M+HCOO]- 209.056781 153.6
[M+CH3COO]- 223.072431 174.6
[M+Na-2H]- 185.033246 139.4
[M]+ 164.05803142 132.8
[M]- 164.05912858 132.8
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