CID 19098514

2-(1-methyl-2,3-dihydro-1h-indol-5-yl)acetic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC2=C1C=CC(=C2)CC(=O)O
InChI
InChI=1S/C11H13NO2/c1-12-5-4-9-6-8(7-11(13)14)2-3-10(9)12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKey
JUGJHCIHYRBATA-UHFFFAOYSA-N
Compound name
2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.2
[M+Na]+ 214.08386 149.5
[M-H]- 190.08736 143.2
[M+NH4]+ 209.12846 161.9
[M+K]+ 230.05780 146.6
[M+H-H2O]+ 174.09190 135.4
[M+HCOO]- 236.09284 161.1
[M+CH3COO]- 250.10849 181.4
[M+Na-2H]- 212.06931 145.0
[M]+ 191.09409 140.9
[M]- 191.09519 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

patents stripe