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]+ 215.081506 146.2
[M+Na]+ 237.063448 154.4
[M-H]- 213.066954 149.2
[M+NH4]+ 232.108053 162.9
[M+K]+ 253.037388 150.4
[M+H-H2O]+ 197.071490 138.2
[M+HCOO]- 259.072431 167.8
[M+CH3COO]- 273.088081 182.4
[M+Na-2H]- 235.048896 150.4
[M]+ 214.07368142 145.6
[M]- 214.07477858 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.