CID 21955499

4-aminomethyl-1-n-cbz-piperidine

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CN(CCC1CN)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2
InChIKey
ABJVEAFRFGTATH-UHFFFAOYSA-N
Compound name
benzyl 4-(aminomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

248.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.8
[M+Na]+ 271.14170 162.4
[M-H]- 247.14520 162.5
[M+NH4]+ 266.18630 173.6
[M+K]+ 287.11564 159.6
[M+H-H2O]+ 231.14974 150.2
[M+HCOO]- 293.15068 177.6
[M+CH3COO]- 307.16633 193.9
[M+Na-2H]- 269.12715 161.4
[M]+ 248.15193 154.1
[M]- 248.15303 154.1
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