CID 2794258

N-carbobenzoxy-1,6-diaminohexane hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C14H22N2O2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)

InChIKey

LXLLLPSNNRGWJH-UHFFFAOYSA-N

Compound name

benzyl N-(6-aminohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 223
Patents: 250.16812 Da
Monoisotopic Mass: 1.9
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]+	251.17540	160.6
[M+Na]+	273.15734	164.2
[M-H]-	249.16084	162.6
[M+NH4]+	268.20194	176.7
[M+K]+	289.13128	161.5
[M+H-H2O]+	233.16538	152.9
[M+HCOO]-	295.16632	184.6
[M+CH3COO]-	309.18197	198.3
[M+Na-2H]-	271.14279	164.4
[M]+	250.16757	161.1
[M]-	250.16867	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe