CID 20789

4663-89-2

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(CNC(=O)OCCO)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO3/c1-10(11-5-3-2-4-6-11)9-13-12(15)16-8-7-14/h2-6,10,14H,7-9H2,1H3,(H,13,15)

InChIKey

ICWSHDGEMYAGOW-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-(2-phenylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 223.12085 Da
Monoisotopic Mass: 1.5
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]+	224.12813	151.8
[M+Na]+	246.11007	156.3
[M-H]-	222.11357	153.5
[M+NH4]+	241.15467	168.8
[M+K]+	262.08401	154.7
[M+H-H2O]+	206.11811	145.1
[M+HCOO]-	268.11905	173.8
[M+CH3COO]-	282.13470	188.2
[M+Na-2H]-	244.09552	155.6
[M]+	223.12030	152.3
[M]-	223.12140	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe