CID 96531823

2055248-91-2

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCN[C@H]1C(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-5-7-13-9(8)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)/t8-,9+/m0/s1
InChIKey
ZCGBZVLCSGIQNH-DTWKUNHWSA-N
Compound name
methyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 161.0
[M+Na]+ 281.147178 164.3
[M-H]- 257.150684 160.9
[M+NH4]+ 276.191783 175.5
[M+K]+ 297.121118 163.8
[M+H-H2O]+ 241.155220 154.6
[M+HCOO]- 303.156161 176.3
[M+CH3COO]- 317.171811 193.7
[M+Na-2H]- 279.132626 162.6
[M]+ 258.15741142 158.4
[M]- 258.15850858 158.4
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

No patent data available for this compound.