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

282
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.3
[M+Na]+ 257.126048 158.4
[M-H]- 233.129554 158.2
[M+NH4]+ 252.170653 169.7
[M+K]+ 273.099988 155.8
[M+H-H2O]+ 217.134090 145.9
[M+HCOO]- 279.135031 173.5
[M+CH3COO]- 293.150681 190.8
[M+Na-2H]- 255.111496 157.4
[M]+ 234.13628142 149.3
[M]- 234.13737858 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