CID 762965

Methyl 3-formyl-1h-indole-7-carboxylate

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC(=O)C1=CC=CC2=C1NC=C2C=O

InChI

InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3

InChIKey

JVUPHJBFLSMOGY-UHFFFAOYSA-N

Compound name

methyl 3-formyl-1H-indole-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 203.05824 Da
Monoisotopic Mass: 1.4
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]+	204.06552	141.6
[M+Na]+	226.04746	154.3
[M+NH4]+	221.09206	149.0
[M+K]+	242.02140	150.5
[M-H]-	202.05096	141.9
[M+Na-2H]-	224.03291	146.8
[M]+	203.05769	143.3
[M]-	203.05879	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe