CID 165415518

Chebi:194025

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC1(CC[C@H](NC1C(=O)O)C(=O)O)C
InChI
InChI=1S/C9H15NO4/c1-9(2)4-3-5(7(11)12)10-6(9)8(13)14/h5-6,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6?/m0/s1
InChIKey
ZMGOJFHCWFDVNB-ZBHICJROSA-N
Compound name
(6S)-3,3-dimethylpiperidine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 144.8
[M+Na]+ 224.08933 152.4
[M+NH4]+ 219.13393 151.2
[M+K]+ 240.06327 148.4
[M-H]- 200.09283 142.2
[M+Na-2H]- 222.07478 146.9
[M]+ 201.09956 144.7
[M]- 201.10066 144.7
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.