CID 12799556

3-(2-methylpyridin-4-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=NC=CC(=C1)/C=C/C(=O)O
InChI
InChI=1S/C9H9NO2/c1-7-6-8(4-5-10-7)2-3-9(11)12/h2-6H,1H3,(H,11,12)/b3-2+
InChIKey
RHRYWOAASMAMDC-NSCUHMNNSA-N
Compound name
(E)-3-(2-methylpyridin-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.7
[M+Na]+ 186.05254 141.0
[M-H]- 162.05604 133.9
[M+NH4]+ 181.09714 151.5
[M+K]+ 202.02648 138.4
[M+H-H2O]+ 146.06058 126.6
[M+HCOO]- 208.06152 154.4
[M+CH3COO]- 222.07717 174.9
[M+Na-2H]- 184.03799 138.6
[M]+ 163.06277 132.4
[M]- 163.06387 132.4
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