CID 7130993

(2e)-3-(1-phenyl-1h-pyrazol-4-yl)prop-2-enoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
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 147.6
[M+Na]+ 237.06345 160.1
[M+NH4]+ 232.10805 154.5
[M+K]+ 253.03739 155.9
[M-H]- 213.06695 149.0
[M+Na-2H]- 235.04890 154.7
[M]+ 214.07368 149.5
[M]- 214.07478 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.