CID 3734372

2-oxo-2,3-dihydro-1h-indole-6-carboxylic acid methyl ester

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1=CC2=C(CC(=O)N2)C=C1
InChI
InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
YFTGUNWFFVDLNM-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydroindole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

191.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 138.4
[M+Na]+ 214.04746 147.3
[M-H]- 190.05096 140.7
[M+NH4]+ 209.09206 159.0
[M+K]+ 230.02140 144.7
[M+H-H2O]+ 174.05550 132.7
[M+HCOO]- 236.05644 159.1
[M+CH3COO]- 250.07209 179.0
[M+Na-2H]- 212.03291 142.8
[M]+ 191.05769 138.4
[M]- 191.05879 138.4
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