CID 52903807

885272-42-4

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8,14H2,1-3H3

InChIKey

AJOIZSPQKCKYRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 234.13683 Da
Monoisotopic Mass: 2.0
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]+	235.14411	153.7
[M+Na]+	257.12605	163.2
[M+NH4]+	252.17065	161.0
[M+K]+	273.09999	160.6
[M-H]-	233.12955	154.2
[M+Na-2H]-	255.11150	157.0
[M]+	234.13628	154.9
[M]-	234.13738	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe