CID 10058237

232261-88-0

Structural Information

Molecular Formula
C4H11NO3S2
SMILES
C(CS(=O)(=O)O)[C@@H](CS)N
InChI
InChI=1S/C4H11NO3S2/c5-4(3-9)1-2-10(6,7)8/h4,9H,1-3,5H2,(H,6,7,8)/t4-/m0/s1
InChIKey
GHOHRLXVWJYYKJ-BYPYZUCNSA-N
Compound name
(3S)-3-amino-4-sulfanylbutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

185.01804 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.025316 136.3
[M+Na]+ 208.007258 142.7
[M-H]- 184.010764 134.3
[M+NH4]+ 203.051863 154.9
[M+K]+ 223.981198 139.3
[M+H-H2O]+ 168.015300 131.1
[M+HCOO]- 230.016241 146.3
[M+CH3COO]- 244.031891 177.0
[M+Na-2H]- 205.992706 137.0
[M]+ 185.01749142 137.2
[M]- 185.01858858 137.2
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