CID 165415515

Chebi:194020

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC1(CC[C@H](N=C1C(=O)O)C(=O)O)C
InChI
InChI=1S/C9H13NO4/c1-9(2)4-3-5(7(11)12)10-6(9)8(13)14/h5H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-/m0/s1
InChIKey
QFZUAQLFOODZQP-YFKPBYRVSA-N
Compound name
(2S)-5,5-dimethyl-3,4-dihydro-2H-pyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 142.8
[M+Na]+ 222.07368 151.9
[M+NH4]+ 217.11828 149.6
[M+K]+ 238.04762 147.4
[M-H]- 198.07718 141.0
[M+Na-2H]- 220.05913 146.4
[M]+ 199.08391 143.2
[M]- 199.08501 143.2
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.