CID 209090

19213-25-3

Structural Information

Molecular Formula
C7H13NO3S2
SMILES
C(CC(=O)O)CSC(=O)SCCN
InChI
InChI=1S/C7H13NO3S2/c8-3-5-13-7(11)12-4-1-2-6(9)10/h1-5,8H2,(H,9,10)
InChIKey
BSYWPOBBTOWYRG-UHFFFAOYSA-N
Compound name
4-(2-aminoethylsulfanylcarbonylsulfanyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.03369 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04097 147.3
[M+Na]+ 246.02291 152.0
[M-H]- 222.02641 144.7
[M+NH4]+ 241.06751 164.3
[M+K]+ 261.99685 148.0
[M+H-H2O]+ 206.03095 141.2
[M+HCOO]- 268.03189 156.8
[M+CH3COO]- 282.04754 185.0
[M+Na-2H]- 244.00836 145.0
[M]+ 223.03314 149.1
[M]- 223.03424 149.1
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.