CID 122163898

1807941-59-8

Structural Information

Molecular Formula
C12H23NO3
SMILES
C[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H23NO3/c1-9-7-10(8-14)5-6-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey
LXOVPEAYTWFSBI-NXEZZACHSA-N
Compound name
tert-butyl (2R,4R)-4-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 155.5
[M+Na]+ 252.157018 160.7
[M-H]- 228.160524 155.8
[M+NH4]+ 247.201623 172.1
[M+K]+ 268.130958 159.7
[M+H-H2O]+ 212.165060 149.8
[M+HCOO]- 274.166001 170.3
[M+CH3COO]- 288.181651 188.3
[M+Na-2H]- 250.142466 157.1
[M]+ 229.16725142 154.0
[M]- 229.16834858 154.0
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.