CID 10634443

N-benzyl-n'-boc-ethylenediamine

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)(C)OC(=O)NCCNCC1=CC=CC=C1
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3,(H,16,17)
InChIKey
ZSJCBAQDXIZTTC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(benzylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

250.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.9
[M+Na]+ 273.15734 165.0
[M-H]- 249.16084 163.8
[M+NH4]+ 268.20194 177.5
[M+K]+ 289.13128 163.2
[M+H-H2O]+ 233.16538 153.9
[M+HCOO]- 295.16632 184.0
[M+CH3COO]- 309.18197 198.6
[M+Na-2H]- 271.14279 166.5
[M]+ 250.16757 161.9
[M]- 250.16867 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe