CID 96531823

At35752

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]+ 259.16524 161.0
[M+Na]+ 281.14718 164.3
[M-H]- 257.15068 160.9
[M+NH4]+ 276.19178 175.5
[M+K]+ 297.12112 163.8
[M+H-H2O]+ 241.15522 154.6
[M+HCOO]- 303.15616 176.3
[M+CH3COO]- 317.17181 193.7
[M+Na-2H]- 279.13263 162.6
[M]+ 258.15741 158.4
[M]- 258.15851 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.