CID 15030923

Indole acrylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C2C(=C1)C=C(N2)/C=C/C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-7,12H,(H,13,14)/b6-5+
InChIKey
SXOUIMVOMIGLHO-AATRIKPKSA-N
Compound name
(E)-3-(1H-indol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

2675
Patents

187.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 138.4
[M+Na]+ 210.05254 147.8
[M-H]- 186.05604 139.5
[M+NH4]+ 205.09714 158.4
[M+K]+ 226.02648 143.0
[M+H-H2O]+ 170.06058 132.7
[M+HCOO]- 232.06152 160.0
[M+CH3COO]- 246.07717 175.6
[M+Na-2H]- 208.03799 144.4
[M]+ 187.06277 138.0
[M]- 187.06387 138.0
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