CID 132351115

Tert-butyl n-(2-formylnaphthalen-1-yl)carbamate

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1=C(C=CC2=CC=CC=C21)C=O

InChI

InChI=1S/C16H17NO3/c1-16(2,3)20-15(19)17-14-12(10-18)9-8-11-6-4-5-7-13(11)14/h4-10H,1-3H3,(H,17,19)

InChIKey

YGHDTHYKHQXALZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-formylnaphthalen-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 3.8
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]+	272.128126	162.0
[M+Na]+	294.110068	169.5
[M-H]-	270.113574	166.7
[M+NH4]+	289.154673	179.5
[M+K]+	310.084008	166.8
[M+H-H2O]+	254.118110	155.5
[M+HCOO]-	316.119051	183.6
[M+CH3COO]-	330.134701	200.8
[M+Na-2H]-	292.095516	168.4
[M]+	271.12030142	164.8
[M]-	271.12139858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.