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 188.0
[M+Na]+ 357.25124 195.5
[M+NH4]+ 352.29584 193.5
[M+K]+ 373.22518 187.5
[M-H]- 333.25474 189.6
[M+Na-2H]- 355.23669 191.2
[M]+ 334.26147 189.1
[M]- 334.26257 189.1
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