CID 14103856

Benzyl n-[2-(4-hydroxyphenyl)ethyl]carbamate

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

C1=CC=C(C=C1)COC(=O)NCCC2=CC=C(C=C2)O

InChI

InChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17-16(19)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19)

InChIKey

YMODWJQJBRHYIP-UHFFFAOYSA-N

Compound name

benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 271.12085 Da
Monoisotopic Mass: 3.0
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]+	272.128126	162.3
[M+Na]+	294.110068	167.5
[M-H]-	270.113574	167.3
[M+NH4]+	289.154673	177.2
[M+K]+	310.084008	163.9
[M+H-H2O]+	254.118110	154.2
[M+HCOO]-	316.119051	185.4
[M+CH3COO]-	330.134701	196.4
[M+Na-2H]-	292.095516	167.3
[M]+	271.12030142	162.6
[M]-	271.12139858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe