CID 5355219

29953-72-8

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-
InChIKey
PLVPPLCLBIEYEA-WAYWQWQTSA-N
Compound name
(Z)-3-(1H-indol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

48
References

6052
Patents

187.06332 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.