CID 6426949

Glu-met

Structural Information

Molecular Formula
C10H18N2O5S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1
InChIKey
SXGAGTVDWKQYCX-BQBZGAKWSA-N
Compound name
(4S)-4-amino-5-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2060
Patents

278.09363 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10091 163.8
[M+Na]+ 301.08285 165.6
[M+NH4]+ 296.12745 166.3
[M+K]+ 317.05679 164.1
[M-H]- 277.08635 158.8
[M+Na-2H]- 299.06830 160.5
[M]+ 278.09308 162.0
[M]- 278.09418 162.0
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