CID 4523338

2-(2,3-dihydro-1h-indol-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(C2=CC=CC=C2N1)CC(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,11H,5-6H2,(H,12,13)
InChIKey
DHBPCLVYRILLIN-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

177.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.7
[M+Na]+ 200.06820 148.2
[M+NH4]+ 195.11280 145.6
[M+K]+ 216.04214 144.7
[M-H]- 176.07170 137.8
[M+Na-2H]- 198.05365 141.5
[M]+ 177.07843 138.9
[M]- 177.07953 138.9
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

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