CID 2794258

78618-06-1

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: 222
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	161.3
[M+Na]+	273.15734	170.1
[M+NH4]+	268.20194	167.9
[M+K]+	289.13128	163.5
[M-H]-	249.16084	163.2
[M+Na-2H]-	271.14279	166.1
[M]+	250.16757	162.7
[M]-	250.16867	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe