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]+ 335.26930 187.3
[M+Na]+ 357.25124 188.1
[M-H]- 333.25474 188.0
[M+NH4]+ 352.29584 199.9
[M+K]+ 373.22518 184.1
[M+H-H2O]+ 317.25928 178.3
[M+HCOO]- 379.26022 209.2
[M+CH3COO]- 393.27587 216.3
[M+Na-2H]- 355.23669 187.9
[M]+ 334.26147 189.9
[M]- 334.26257 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