CID 4715128

Methyl 6-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC2=C(C=C1)C=C(N2)C(=O)OC
InChI
InChI=1S/C11H11NO2/c1-7-3-4-8-6-10(11(13)14-2)12-9(8)5-7/h3-6,12H,1-2H3
InChIKey
UYJKPZLQOCBHOS-UHFFFAOYSA-N
Compound name
methyl 6-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

189.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.0
[M+Na]+ 212.06820 152.2
[M+NH4]+ 207.11280 147.3
[M+K]+ 228.04214 147.9
[M-H]- 188.07170 140.1
[M+Na-2H]- 210.05365 144.9
[M]+ 189.07843 141.1
[M]- 189.07953 141.1
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