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

71
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

literature stripe

Patent stripe

patents stripe