CID 46078

63982-24-1

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC(C)OC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-10(2)15-12(14)13-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)

InChIKey

HZMHUMWAGBXLBY-UHFFFAOYSA-N

Compound name

propan-2-yl N-(2-phenylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 207.12593 Da
Monoisotopic Mass: 2.7
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]+	208.13321	148.5
[M+Na]+	230.11515	153.6
[M-H]-	206.11865	151.7
[M+NH4]+	225.15975	167.0
[M+K]+	246.08909	152.3
[M+H-H2O]+	190.12319	141.8
[M+HCOO]-	252.12413	171.8
[M+CH3COO]-	266.13978	188.7
[M+Na-2H]-	228.10060	152.8
[M]+	207.12538	149.5
[M]-	207.12648	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe