CID 18632201

116586-57-3

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC(C)(C)OC(=O)[C@@H]1CC2=CC=CC=C2N1

InChI

InChI=1S/C13H17NO2/c1-13(2,3)16-12(15)11-8-9-6-4-5-7-10(9)14-11/h4-7,11,14H,8H2,1-3H3/t11-/m0/s1

InChIKey

BWLRZKYMVHFPLH-NSHDSACASA-N

Compound name

tert-butyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 219.12593 Da
Monoisotopic Mass: 2.9
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]+	220.133206	151.8
[M+Na]+	242.115148	158.8
[M-H]-	218.118654	153.5
[M+NH4]+	237.159753	171.3
[M+K]+	258.089088	155.9
[M+H-H2O]+	202.123190	146.1
[M+HCOO]-	264.124131	169.5
[M+CH3COO]-	278.139781	185.3
[M+Na-2H]-	240.100596	156.0
[M]+	219.12538142	151.2
[M]-	219.12647858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe