CID 3663954

Tert-butyl indoline-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC(C)(C)OC(=O)N1CCC2=CC=CC=C21

InChI

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

InChIKey

GWAXLDLPPZPQLO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 307
Patents: 219.12593 Da
Monoisotopic Mass: 2.7
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	151.4
[M+Na]+	242.115148	159.0
[M-H]-	218.118654	154.6
[M+NH4]+	237.159753	171.8
[M+K]+	258.089088	157.0
[M+H-H2O]+	202.123190	145.6
[M+HCOO]-	264.124131	170.7
[M+CH3COO]-	278.139781	187.2
[M+Na-2H]-	240.100596	156.1
[M]+	219.12538142	152.6
[M]-	219.12647858	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe