CID 744524

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CN(C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H,12,13)
InChIKey
ZYKYVZPUUGVMFE-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.9
[M+Na]+ 200.068198 144.6
[M-H]- 176.071704 138.7
[M+NH4]+ 195.112803 157.8
[M+K]+ 216.042138 142.0
[M+H-H2O]+ 160.076240 130.9
[M+HCOO]- 222.077181 157.2
[M+CH3COO]- 236.092831 177.2
[M+Na-2H]- 198.053646 141.8
[M]+ 177.07843142 135.8
[M]- 177.07952858 135.8
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

patents stripe