CID 10845069

(2e)-3-(5-methoxypyridin-2-yl)prop-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC1=CN=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C9H9NO3/c1-13-8-4-2-7(10-6-8)3-5-9(11)12/h2-6H,1H3,(H,11,12)/b5-3+
InChIKey
BTZPAAGHZIUZGH-HWKANZROSA-N
Compound name
(E)-3-(5-methoxy-2-pyridinyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 135.7
[M+Na]+ 202.047458 143.9
[M-H]- 178.050964 136.9
[M+NH4]+ 197.092063 153.8
[M+K]+ 218.021398 141.8
[M+H-H2O]+ 162.055500 129.4
[M+HCOO]- 224.056441 157.6
[M+CH3COO]- 238.072091 176.9
[M+Na-2H]- 200.032906 141.6
[M]+ 179.05769142 136.8
[M]- 179.05878858 136.8
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