CID 4072414

87905-98-4

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

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

InChI

InChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16)

InChIKey

TYIYHFWLYLHCHY-UHFFFAOYSA-N

Compound name

benzyl N-(5-hydroxypentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 237.13649 Da
Monoisotopic Mass: 1.8
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]+	238.14377	156.2
[M+Na]+	260.12571	165.8
[M+NH4]+	255.17031	162.7
[M+K]+	276.09965	159.7
[M-H]-	236.12921	157.1
[M+Na-2H]-	258.11116	161.0
[M]+	237.13594	157.4
[M]-	237.13704	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe