CID 9990119

Methyl 2-(2,3-dihydro-1h-indol-2-yl)acetate

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)CC1CC2=CC=CC=C2N1
InChI
InChI=1S/C11H13NO2/c1-14-11(13)7-9-6-8-4-2-3-5-10(8)12-9/h2-5,9,12H,6-7H2,1H3
InChIKey
IAINXEYLEMFBPF-UHFFFAOYSA-N
Compound name
methyl 2-(2,3-dihydro-1H-indol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.8
[M+Na]+ 214.08386 149.2
[M-H]- 190.08736 143.5
[M+NH4]+ 209.12846 162.2
[M+K]+ 230.05780 146.3
[M+H-H2O]+ 174.09190 135.7
[M+HCOO]- 236.09284 161.8
[M+CH3COO]- 250.10849 179.6
[M+Na-2H]- 212.06931 146.2
[M]+ 191.09409 141.0
[M]- 191.09519 141.0
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