CID 1514177

1044560-96-4

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1
InChIKey
PBFBPDLWODIXHK-GFCCVEGCSA-N
Compound name
benzyl (3R)-3-aminopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.3
[M+Na]+ 257.12605 158.4
[M-H]- 233.12955 158.2
[M+NH4]+ 252.17065 169.7
[M+K]+ 273.09999 155.8
[M+H-H2O]+ 217.13409 145.9
[M+HCOO]- 279.13503 173.5
[M+CH3COO]- 293.15068 190.8
[M+Na-2H]- 255.11150 157.4
[M]+ 234.13628 149.3
[M]- 234.13738 149.3
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