CID 138008003

2241130-54-9

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)[C@@H]1C[C@@H](CNC1)C(=O)OC
InChI
InChI=1S/C11H21NO2/c1-11(2,3)9-5-8(6-12-7-9)10(13)14-4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey
BBAUYLYRYIRCDS-DTWKUNHWSA-N
Compound name
methyl (3S,5S)-5-tert-butylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 148.5
[M+Na]+ 222.14645 153.2
[M-H]- 198.14995 148.6
[M+NH4]+ 217.19105 166.0
[M+K]+ 238.12039 151.8
[M+H-H2O]+ 182.15449 142.9
[M+HCOO]- 244.15543 163.4
[M+CH3COO]- 258.17108 182.6
[M+Na-2H]- 220.13190 151.1
[M]+ 199.15668 144.9
[M]- 199.15778 144.9
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.