CID 29019140

1158094-31-5

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)O)N2C=CC=N2
InChI
InChI=1S/C12H10N2O2/c15-12(16)7-6-10-4-1-2-5-11(10)14-9-3-8-13-14/h1-9H,(H,15,16)/b7-6+
InChIKey
JGBSTCIQXRSQLQ-VOTSOKGWSA-N
Compound name
(E)-3-(2-pyrazol-1-ylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 146.2
[M+Na]+ 237.06345 154.4
[M-H]- 213.06695 149.2
[M+NH4]+ 232.10805 162.9
[M+K]+ 253.03739 150.4
[M+H-H2O]+ 197.07149 138.2
[M+HCOO]- 259.07243 167.8
[M+CH3COO]- 273.08808 182.4
[M+Na-2H]- 235.04890 150.4
[M]+ 214.07368 145.6
[M]- 214.07478 145.6
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.