CID 11831752

N-boc-5-methoxyindole

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC

InChI

InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3

InChIKey

LPSLGTZFBDZNEK-UHFFFAOYSA-N

Compound name

tert-butyl 5-methoxyindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 247.12085 Da
Monoisotopic Mass: 3.2
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]+	248.128126	156.4
[M+Na]+	270.110068	166.3
[M-H]-	246.113574	160.6
[M+NH4]+	265.154673	176.0
[M+K]+	286.084008	164.4
[M+H-H2O]+	230.118110	150.4
[M+HCOO]-	292.119051	178.4
[M+CH3COO]-	306.134701	192.8
[M+Na-2H]-	268.095516	161.9
[M]+	247.12030142	162.7
[M]-	247.12139858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe