CID 3492064

80731-46-0

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

C1CCC(CC1)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H19NO2/c19-17(20-14-9-2-1-3-10-14)18-16-12-6-8-13-7-4-5-11-15(13)16/h4-8,11-12,14H,1-3,9-10H2,(H,18,19)

InChIKey

VXLVBCIMVJAABQ-UHFFFAOYSA-N

Compound name

cyclohexyl N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.14157 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]+	270.148846	161.0
[M+Na]+	292.130788	164.6
[M-H]-	268.134294	167.2
[M+NH4]+	287.175393	177.3
[M+K]+	308.104728	160.8
[M+H-H2O]+	252.138830	152.6
[M+HCOO]-	314.139771	180.4
[M+CH3COO]-	328.155421	198.6
[M+Na-2H]-	290.116236	166.1
[M]+	269.14102142	156.5
[M]-	269.14211858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe