CID 53415318

350683-35-1

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2=C1C=CC=C2O

InChI

InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h4-6,15H,7-8H2,1-3H3

InChIKey

RGJNBULAOCYWSF-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-2,3-dihydroindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 235.12085 Da
Monoisotopic Mass: 2.3
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]+	236.12813	154.5
[M+Na]+	258.11007	162.3
[M-H]-	234.11357	156.6
[M+NH4]+	253.15467	173.7
[M+K]+	274.08401	160.1
[M+H-H2O]+	218.11811	149.0
[M+HCOO]-	280.11905	172.4
[M+CH3COO]-	294.13470	187.9
[M+Na-2H]-	256.09552	158.2
[M]+	235.12030	155.6
[M]-	235.12140	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe