CID 4456126

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

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CN1C(=CC2=C1C=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C12H13NO3/c1-13-10-7-9(15-2)5-4-8(10)6-11(13)12(14)16-3/h4-7H,1-3H3

InChIKey

SRWZUDVDLGGWIH-UHFFFAOYSA-N

Compound name

methyl 6-methoxy-1-methylindole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 219.08954 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.096816	145.3
[M+Na]+	242.078758	156.5
[M-H]-	218.082264	149.8
[M+NH4]+	237.123363	166.1
[M+K]+	258.052698	154.5
[M+H-H2O]+	202.086800	139.2
[M+HCOO]-	264.087741	169.6
[M+CH3COO]-	278.103391	189.0
[M+Na-2H]-	240.064206	150.4
[M]+	219.08899142	151.9
[M]-	219.09008858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe