CID 44700

N-1-naphthyl ethyl urethane

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C15H17NO2/c1-3-16(15(17)18-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3

InChIKey

WJJMHXJWKUMPKT-UHFFFAOYSA-N

Compound name

ethyl N-ethyl-N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 243.12593 Da
Monoisotopic Mass: 3.7
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]+	244.133206	155.6
[M+Na]+	266.115148	162.0
[M-H]-	242.118654	161.2
[M+NH4]+	261.159753	174.4
[M+K]+	282.089088	160.2
[M+H-H2O]+	226.123190	148.3
[M+HCOO]-	288.124131	179.2
[M+CH3COO]-	302.139781	199.0
[M+Na-2H]-	264.100596	161.5
[M]+	243.12538142	158.6
[M]-	243.12647858	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe