CID 21512832

Sodium 2-(2,3-dihydro-1h-indol-1-yl)propanoate

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(C(=O)O)N1CCC2=CC=CC=C21
InChI
InChI=1S/C11H13NO2/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKey
CJXXGRUDOJACAH-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.9
[M+Na]+ 214.083858 148.9
[M-H]- 190.087364 143.6
[M+NH4]+ 209.128463 162.1
[M+K]+ 230.057798 146.5
[M+H-H2O]+ 174.091900 135.9
[M+HCOO]- 236.092841 160.8
[M+CH3COO]- 250.108491 181.1
[M+Na-2H]- 212.069306 145.1
[M]+ 191.09409142 140.5
[M]- 191.09518858 140.5
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