CID 3532980

1-boc-indole

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21

InChI

InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3

InChIKey

OWPIFQXNMLDXKW-UHFFFAOYSA-N

Compound name

tert-butyl indole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 701
Patents: 217.11028 Da
Monoisotopic Mass: 3.3
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]+	218.11756	147.8
[M+Na]+	240.09950	160.5
[M+NH4]+	235.14410	156.0
[M+K]+	256.07344	156.5
[M-H]-	216.10300	148.7
[M+Na-2H]-	238.08495	154.0
[M]+	217.10973	149.9
[M]-	217.11083	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe