CID 12021025

N,n-dimethylglutamic acid

Structural Information

Molecular Formula
C7H13NO4
SMILES
CN(C)[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C7H13NO4/c1-8(2)5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
JCHFXGIXHDRBFU-YFKPBYRVSA-N
Compound name
(2S)-2-(dimethylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

325
Patents

175.08446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 137.8
[M+Na]+ 198.07368 142.9
[M-H]- 174.07718 136.7
[M+NH4]+ 193.11828 156.6
[M+K]+ 214.04762 144.1
[M+H-H2O]+ 158.08172 132.7
[M+HCOO]- 220.08266 158.2
[M+CH3COO]- 234.09831 182.3
[M+Na-2H]- 196.05913 139.0
[M]+ 175.08391 138.5
[M]- 175.08501 138.5
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.