CID 84080033

2173997-14-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1CC2=C(N1)C=CC=C2O

InChI

InChI=1S/C10H11NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h2-4,8,11-12H,5H2,1H3

InChIKey

MDOBAIQGRXOKAG-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-2,3-dihydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.0739 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]+	194.081176	140.2
[M+Na]+	216.063118	148.4
[M-H]-	192.066624	141.0
[M+NH4]+	211.107723	160.0
[M+K]+	232.037058	145.4
[M+H-H2O]+	176.071160	134.7
[M+HCOO]-	238.072101	159.1
[M+CH3COO]-	252.087751	177.3
[M+Na-2H]-	214.048566	144.1
[M]+	193.07335142	139.0
[M]-	193.07444858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe