CID 19900079

Cysteinyl-lysine

Structural Information

Molecular Formula
C9H19N3O3S
SMILES
C(CCN)CC(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C9H19N3O3S/c10-4-2-1-3-7(9(14)15)12-8(13)6(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)
InChIKey
WXOFKRKAHJQKLT-UHFFFAOYSA-N
Compound name
6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

249.11472 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12200 158.4
[M+Na]+ 272.10394 160.2
[M-H]- 248.10744 155.2
[M+NH4]+ 267.14854 173.0
[M+K]+ 288.07788 158.4
[M+H-H2O]+ 232.11198 151.1
[M+HCOO]- 294.11292 172.5
[M+CH3COO]- 308.12857 198.6
[M+Na-2H]- 270.08939 154.5
[M]+ 249.11417 156.3
[M]- 249.11527 156.3
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.