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]+ 307.23802 178.5
[M+Na]+ 329.21996 180.2
[M-H]- 305.22346 179.7
[M+NH4]+ 324.26456 192.2
[M+K]+ 345.19390 176.6
[M+H-H2O]+ 289.22800 169.9
[M+HCOO]- 351.22894 201.1
[M+CH3COO]- 365.24459 210.4
[M+Na-2H]- 327.20541 180.1
[M]+ 306.23019 180.4
[M]- 306.23129 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.