CID 1472291

81124-51-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

113
Patents

199.06332 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe