CID 131750778

Methionyl-gamma-glutamate

Structural Information

Molecular Formula
C10H19N3O4S
SMILES
CSCCC(C(=O)NC(=O)CCC(C(=O)O)N)N
InChI
InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-8(14)3-2-7(12)10(16)17/h6-7H,2-5,11-12H2,1H3,(H,16,17)(H,13,14,15)
InChIKey
YVSZXQHOADMOLO-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10962 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11690 165.1
[M+Na]+ 300.09884 166.4
[M-H]- 276.10234 161.8
[M+NH4]+ 295.14344 178.4
[M+K]+ 316.07278 165.0
[M+H-H2O]+ 260.10688 157.7
[M+HCOO]- 322.10782 178.3
[M+CH3COO]- 336.12347 203.3
[M+Na-2H]- 298.08429 159.9
[M]+ 277.10907 163.5
[M]- 277.11017 163.5
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.