CID 771477

351015-73-1

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)C=O

InChI

InChI=1S/C12H11NO3/c1-16-12(15)7-13-6-9(8-14)10-4-2-3-5-11(10)13/h2-6,8H,7H2,1H3

InChIKey

ZKSBNZGJGCIDPQ-UHFFFAOYSA-N

Compound name

methyl 2-(3-formylindol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 217.0739 Da
Monoisotopic Mass: 1.5
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]+	218.08118	145.6
[M+Na]+	240.06312	158.7
[M+NH4]+	235.10772	153.2
[M+K]+	256.03706	154.3
[M-H]-	216.06662	146.3
[M+Na-2H]-	238.04857	151.2
[M]+	217.07335	147.5
[M]-	217.07445	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe