CID 85882660

N-carbobenzoxy-1,10-diaminodecane hydrochloride

Structural Information

Molecular Formula
C18H30N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCCCCCCN
InChI
InChI=1S/C18H30N2O2/c19-14-10-5-3-1-2-4-6-11-15-20-18(21)22-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16,19H2,(H,20,21)
InChIKey
ABRRGZDHHAQCQS-UHFFFAOYSA-N
Compound name
benzyl N-(10-aminodecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 178.5
[M+Na]+ 329.219958 180.2
[M-H]- 305.223464 179.7
[M+NH4]+ 324.264563 192.2
[M+K]+ 345.193898 176.6
[M+H-H2O]+ 289.228000 169.9
[M+HCOO]- 351.228941 201.1
[M+CH3COO]- 365.244591 210.4
[M+Na-2H]- 327.205406 180.1
[M]+ 306.23019142 180.4
[M]- 306.23128858 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.