CID 2794259

69747-36-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H20N2O2/c14-9-5-2-6-10-15-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)

InChIKey

ZZRXQSABHQZWCC-UHFFFAOYSA-N

Compound name

benzyl N-(5-aminopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 236.15248 Da
Monoisotopic Mass: 1.6
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]+	237.15976	156.8
[M+Na]+	259.14170	165.8
[M+NH4]+	254.18630	163.6
[M+K]+	275.11564	159.5
[M-H]-	235.14520	158.8
[M+Na-2H]-	257.12715	161.9
[M]+	236.15193	158.2
[M]-	236.15303	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe