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 148.0
[M+Na]+ 222.14645 156.9
[M+NH4]+ 217.19105 154.8
[M+K]+ 238.12039 152.7
[M-H]- 198.14995 147.3
[M+Na-2H]- 220.13190 150.8
[M]+ 199.15668 148.8
[M]- 199.15778 148.8
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.