CID 16244446

Methyl indoline-6-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)C1=CC2=C(CCN2)C=C1

InChI

InChI=1S/C10H11NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,11H,4-5H2,1H3

InChIKey

IVFIWGSRKYSLLR-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1H-indole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 177.07898 Da
Monoisotopic Mass: 1.9
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]+	178.086256	137.1
[M+Na]+	200.068198	144.9
[M-H]-	176.071704	139.0
[M+NH4]+	195.112803	158.1
[M+K]+	216.042138	142.3
[M+H-H2O]+	160.076240	131.2
[M+HCOO]-	222.077181	157.4
[M+CH3COO]-	236.092831	176.6
[M+Na-2H]-	198.053646	142.1
[M]+	177.07843142	135.9
[M]-	177.07952858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe