CID 6065941

81124-52-9

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC=C2C(=C1)C(=CC=N2)/C=C/C(=O)O
InChI
InChI=1S/C12H9NO2/c14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-8H,(H,14,15)/b6-5+
InChIKey
GDCNAOKZXWMIJA-AATRIKPKSA-N
Compound name
(E)-3-quinolin-4-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

199.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 141.1
[M+Na]+ 222.05254 149.5
[M-H]- 198.05604 143.0
[M+NH4]+ 217.09714 159.3
[M+K]+ 238.02648 145.3
[M+H-H2O]+ 182.06058 134.4
[M+HCOO]- 244.06152 161.6
[M+CH3COO]- 258.07717 181.5
[M+Na-2H]- 220.03799 148.7
[M]+ 199.06277 140.6
[M]- 199.06387 140.6
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

patents stripe