CID 439377

N-methyl-l-glutamic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
CN[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
XLBVNMSMFQMKEY-BYPYZUCNSA-N
Compound name
(2S)-2-(methylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

5195
Patents

161.0688 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 133.9
[M+Na]+ 184.058018 139.1
[M-H]- 160.061524 131.3
[M+NH4]+ 179.102623 152.5
[M+K]+ 200.031958 139.1
[M+H-H2O]+ 144.066060 128.9
[M+HCOO]- 206.067001 153.9
[M+CH3COO]- 220.082651 175.8
[M+Na-2H]- 182.043466 136.2
[M]+ 161.06825142 132.8
[M]- 161.06934858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe