CID 59454031

Methyl 1-methyl-2,3-dihydro-1h-indole-6-carboxylate

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C11H13NO2/c1-12-6-5-8-3-4-9(7-10(8)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKey
KQJMBLOFMLWTAB-UHFFFAOYSA-N
Compound name
methyl 1-methyl-2,3-dihydroindole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

191.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.8
[M+Na]+ 214.08386 149.6
[M-H]- 190.08736 144.3
[M+NH4]+ 209.12846 162.3
[M+K]+ 230.05780 147.6
[M+H-H2O]+ 174.09190 134.7
[M+HCOO]- 236.09284 162.3
[M+CH3COO]- 250.10849 183.3
[M+Na-2H]- 212.06931 145.0
[M]+ 191.09409 142.3
[M]- 191.09519 142.3
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