CID 1514175

478646-33-2

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1C[C@@H](CNC1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c16-13(15-12-7-4-8-14-9-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKey
GEHZGURGZRSODK-LBPRGKRZSA-N
Compound name
benzyl N-[(3S)-piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

234.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 153.7
[M+Na]+ 257.126048 156.4
[M-H]- 233.129554 156.3
[M+NH4]+ 252.170653 168.3
[M+K]+ 273.099988 153.2
[M+H-H2O]+ 217.134090 145.3
[M+HCOO]- 279.135031 172.0
[M+CH3COO]- 293.150681 187.8
[M+Na-2H]- 255.111496 158.2
[M]+ 234.13628142 147.4
[M]- 234.13737858 147.4
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