CID 21642661

Methyl 2-oxo-2,3-dihydro-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H9NO3/c1-14-10(13)8-6-4-2-3-5-7(6)11-9(8)12/h2-5,8H,1H3,(H,11,12)
InChIKey
UISRSSRLHUXCQX-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydroindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 138.4
[M+Na]+ 214.047458 147.3
[M-H]- 190.050964 140.7
[M+NH4]+ 209.092063 159.0
[M+K]+ 230.021398 144.7
[M+H-H2O]+ 174.055500 132.7
[M+HCOO]- 236.056441 159.1
[M+CH3COO]- 250.072091 179.0
[M+Na-2H]- 212.032906 142.8
[M]+ 191.05769142 138.4
[M]- 191.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe