CID 124510003

1932333-90-8

Structural Information

Molecular Formula
C11H22N2O2
SMILES
C[C@@H]1C[C@H](CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H22N2O2/c1-8-5-9(12)7-13(6-8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKey
PLLHWQMECGKRCY-RKDXNWHRSA-N
Compound name
tert-butyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

214.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.4
[M+Na]+ 237.15734 157.5
[M-H]- 213.16084 153.7
[M+NH4]+ 232.20194 169.7
[M+K]+ 253.13128 156.8
[M+H-H2O]+ 197.16538 146.3
[M+HCOO]- 259.16632 169.1
[M+CH3COO]- 273.18197 190.1
[M+Na-2H]- 235.14279 154.0
[M]+ 214.16757 149.1
[M]- 214.16867 149.1
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