CID 21252279

L-homocysteine sulfonic acid

Structural Information

Molecular Formula
C3H9NO3S2
SMILES
C(CS)[C@H](N)S(=O)(=O)O
InChI
InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1
InChIKey
MHHDKRFQNZZMOE-GSVOUGTGSA-N
Compound name
(1R)-1-amino-3-sulfanylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.00238 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00966 132.1
[M+Na]+ 193.99160 138.9
[M-H]- 169.99510 130.3
[M+NH4]+ 189.03620 151.2
[M+K]+ 209.96554 135.7
[M+H-H2O]+ 153.99964 127.0
[M+HCOO]- 216.00058 142.4
[M+CH3COO]- 230.01623 174.0
[M+Na-2H]- 191.97705 133.2
[M]+ 171.00183 132.7
[M]- 171.00293 132.7
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.