CID 18220973

Glycylcysteyllysine

Structural Information

Molecular Formula
C11H22N4O4S
SMILES
C(CCN)CC(C(=O)O)NC(=O)C(CS)NC(=O)CN
InChI
InChI=1S/C11H22N4O4S/c12-4-2-1-3-7(11(18)19)15-10(17)8(6-20)14-9(16)5-13/h7-8,20H,1-6,12-13H2,(H,14,16)(H,15,17)(H,18,19)
InChIKey
LGQZOQRDEUIZJY-UHFFFAOYSA-N
Compound name
6-amino-2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13617 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14345 171.5
[M+Na]+ 329.12539 171.4
[M-H]- 305.12889 167.8
[M+NH4]+ 324.16999 183.2
[M+K]+ 345.09933 170.0
[M+H-H2O]+ 289.13343 163.2
[M+HCOO]- 351.13437 185.3
[M+CH3COO]- 365.15002 211.8
[M+Na-2H]- 327.11084 166.5
[M]+ 306.13562 169.3
[M]- 306.13672 169.3
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.