CID 562256

34637-22-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1=CC=C(C=C1)COC(=O)NCCCO

InChI

InChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)

InChIKey

WXQCFKYWSKKNKY-UHFFFAOYSA-N

Compound name

benzyl N-(3-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 515
Patents: 209.1052 Da
Monoisotopic Mass: 1.1
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]+	210.11248	146.5
[M+Na]+	232.09442	151.8
[M-H]-	208.09792	148.3
[M+NH4]+	227.13902	164.2
[M+K]+	248.06836	149.9
[M+H-H2O]+	192.10246	139.9
[M+HCOO]-	254.10340	169.9
[M+CH3COO]-	268.11905	184.3
[M+Na-2H]-	230.07987	152.2
[M]+	209.10465	147.3
[M]-	209.10575	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe