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

11
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

literature stripe

Patent stripe

patents stripe