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

27
Patents

199.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.070596 141.1
[M+Na]+ 222.052538 149.5
[M-H]- 198.056044 143.0
[M+NH4]+ 217.097143 159.3
[M+K]+ 238.026478 145.3
[M+H-H2O]+ 182.060580 134.4
[M+HCOO]- 244.061521 161.6
[M+CH3COO]- 258.077171 181.5
[M+Na-2H]- 220.037986 148.7
[M]+ 199.06277142 140.6
[M]- 199.06386858 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