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 143.8
[M+Na]+ 224.08933 149.6
[M-H]- 200.09283 141.8
[M+NH4]+ 219.13393 161.4
[M+K]+ 240.06327 147.8
[M+H-H2O]+ 184.09737 139.4
[M+HCOO]- 246.09831 157.4
[M+CH3COO]- 260.11396 177.8
[M+Na-2H]- 222.07478 145.2
[M]+ 201.09956 138.7
[M]- 201.10066 138.7
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.