CID 165915677

Rac-tert-butyl n-{[(2r,4s)-4-(propan-2-yl)piperidin-2-yl]methyl}carbamate

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)[C@@H]1CCN[C@@H](C1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O2/c1-10(2)11-6-7-15-12(8-11)9-16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1
InChIKey
KTDPYGFPNNSYEC-NEPJUHHUSA-N
Compound name
tert-butyl N-[[(2S,4R)-4-propan-2-ylpiperidin-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 166.0
[M+Na]+ 279.20432 168.3
[M-H]- 255.20782 165.5
[M+NH4]+ 274.24892 180.8
[M+K]+ 295.17826 166.7
[M+H-H2O]+ 239.21236 159.5
[M+HCOO]- 301.21330 179.9
[M+CH3COO]- 315.22895 196.9
[M+Na-2H]- 277.18977 166.2
[M]+ 256.21455 161.9
[M]- 256.21565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.