CID 125458026

Rac-methyl (2r,4s,5s)-2,5-dimethylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C[C@H]1C[C@H]([C@H](CN1)C)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-6-5-10-7(2)4-8(6)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKey
SZECQDVGKJMCHD-BIIVOSGPSA-N
Compound name
methyl (2S,4R,5R)-2,5-dimethylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.2
[M+Na]+ 194.11515 145.1
[M-H]- 170.11865 139.7
[M+NH4]+ 189.15975 157.9
[M+K]+ 210.08909 143.8
[M+H-H2O]+ 154.12319 133.4
[M+HCOO]- 216.12413 156.3
[M+CH3COO]- 230.13978 178.1
[M+Na-2H]- 192.10060 141.4
[M]+ 171.12538 135.7
[M]- 171.12648 135.7
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.