CID 10010

462-10-2

Structural Information

Molecular Formula
C8H16N2O4S2
SMILES
C(CSSCCC(C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKey
ZTVZLYBCZNMWCF-UHFFFAOYSA-N
Compound name
2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

777
References

4678
Patents

268.05515 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.062426 157.4
[M+Na]+ 291.044368 159.0
[M-H]- 267.047874 152.0
[M+NH4]+ 286.088973 170.5
[M+K]+ 307.018308 155.0
[M+H-H2O]+ 251.052410 150.4
[M+HCOO]- 313.053351 163.3
[M+CH3COO]- 327.069001 195.4
[M+Na-2H]- 289.029816 152.3
[M]+ 268.05460142 156.0
[M]- 268.05569858 156.0
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.