CID 85938112

N-carbobenzoxy-1,12-diaminododecane hydrochloride

Structural Information

Molecular Formula
C20H34N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C20H34N2O2/c21-16-12-7-5-3-1-2-4-6-8-13-17-22-20(23)24-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18,21H2,(H,22,23)
InChIKey
ACMMAQCKZDNEIQ-UHFFFAOYSA-N
Compound name
benzyl N-(12-aminododecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.26202 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.269296 187.3
[M+Na]+ 357.251238 188.1
[M-H]- 333.254744 188.0
[M+NH4]+ 352.295843 199.9
[M+K]+ 373.225178 184.1
[M+H-H2O]+ 317.259280 178.3
[M+HCOO]- 379.260221 209.2
[M+CH3COO]- 393.275871 216.3
[M+Na-2H]- 355.236686 187.9
[M]+ 334.26147142 189.9
[M]- 334.26256858 189.9
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

patents stripe