CID 15607039

Cysteylcysteine

Structural Information

Molecular Formula
C6H12N2O3S2
SMILES
C(C(C(=O)NC(CS)C(=O)O)N)S
InChI
InChI=1S/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)
InChIKey
OABOXRPGTFRBFZ-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

224.02893 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03621 147.0
[M+Na]+ 247.01815 150.3
[M-H]- 223.02165 144.3
[M+NH4]+ 242.06275 163.1
[M+K]+ 262.99209 147.5
[M+H-H2O]+ 207.02619 140.4
[M+HCOO]- 269.02713 155.4
[M+CH3COO]- 283.04278 189.6
[M+Na-2H]- 245.00360 143.8
[M]+ 224.02838 146.4
[M]- 224.02948 146.4
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