CID 18399719

2-(1h-indol-5-yl)acetic acid

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC2=C(C=CN2)C=C1CC(=O)O
InChI
InChI=1S/C10H9NO2/c12-10(13)6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6H2,(H,12,13)
InChIKey
LNDWMQWLWGXEET-UHFFFAOYSA-N
Compound name
2-(1H-indol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

175.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.5
[M+Na]+ 198.05254 143.9
[M-H]- 174.05604 135.7
[M+NH4]+ 193.09714 155.0
[M+K]+ 214.02648 140.0
[M+H-H2O]+ 158.06058 128.9
[M+HCOO]- 220.06152 156.2
[M+CH3COO]- 234.07717 174.1
[M+Na-2H]- 196.03799 141.0
[M]+ 175.06277 134.5
[M]- 175.06387 134.5
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