CID 444578

L-2-methylglutamic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
C[C@](CCC(=O)O)(C(=O)O)N
InChI
InChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey
QHSCIWIRXWFIGH-LURJTMIESA-N
Compound name
(2S)-2-amino-2-methylpentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

3705
Patents

161.0688 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 133.2
[M+Na]+ 184.05802 139.1
[M-H]- 160.06152 130.4
[M+NH4]+ 179.10262 151.8
[M+K]+ 200.03196 138.7
[M+H-H2O]+ 144.06606 129.0
[M+HCOO]- 206.06700 152.2
[M+CH3COO]- 220.08265 174.6
[M+Na-2H]- 182.04347 136.7
[M]+ 161.06825 131.4
[M]- 161.06935 131.4
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