CID 12237448

58665-01-3

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CC(C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C11H13NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKey
WREUYWYKNQHWFL-UHFFFAOYSA-N
Compound name
2-(1-methyl-2,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.2
[M+Na]+ 214.083858 149.5
[M-H]- 190.087364 143.2
[M+NH4]+ 209.128463 161.9
[M+K]+ 230.057798 146.6
[M+H-H2O]+ 174.091900 135.4
[M+HCOO]- 236.092841 161.1
[M+CH3COO]- 250.108491 181.4
[M+Na-2H]- 212.069306 145.0
[M]+ 191.09409142 140.9
[M]- 191.09518858 140.9
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

No patent data available for this compound.