CID 3864552

3-[2,3-dihydro-1-(1h)-indole]propanoic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1C(C2=CC=CC=C2N1)CCC(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)
InChIKey
RTQBHGZHDQGEOT-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.0
[M+Na]+ 214.08386 148.9
[M-H]- 190.08736 142.2
[M+NH4]+ 209.12846 161.6
[M+K]+ 230.05780 145.1
[M+H-H2O]+ 174.09190 136.1
[M+HCOO]- 236.09284 160.4
[M+CH3COO]- 250.10849 177.7
[M+Na-2H]- 212.06931 146.0
[M]+ 191.09409 139.4
[M]- 191.09519 139.4
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