CID 230323

Isopropyl n-(1-naphthyl)carbamate

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

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

InChI

InChI=1S/C14H15NO2/c1-10(2)17-14(16)15-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H,15,16)

InChIKey

AEOQMGVPGAAJQS-UHFFFAOYSA-N

Compound name

propan-2-yl N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 229.11028 Da
Monoisotopic Mass: 2.8
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]+	230.117556	151.0
[M+Na]+	252.099498	157.5
[M-H]-	228.103004	155.4
[M+NH4]+	247.144103	169.8
[M+K]+	268.073438	155.1
[M+H-H2O]+	212.107540	144.3
[M+HCOO]-	274.108481	173.5
[M+CH3COO]-	288.124131	193.4
[M+Na-2H]-	250.084946	157.0
[M]+	229.10973142	151.9
[M]-	229.11082858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe