CID 131704218

(3s)-3-(sulfooxy)-l-serine

Structural Information

Molecular Formula
C3H7NO7S
SMILES
[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N
InChI
InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
InChIKey
MNJOBAOHZQQXIK-GPKNORDASA-N
Compound name
(2S,3S)-2-amino-3-hydroxy-3-sulfooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99432 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00160 134.9
[M+Na]+ 223.98354 140.2
[M-H]- 199.98704 130.5
[M+NH4]+ 219.02814 150.7
[M+K]+ 239.95748 139.8
[M+H-H2O]+ 183.99158 130.0
[M+HCOO]- 245.99252 147.3
[M+CH3COO]- 260.00817 174.3
[M+Na-2H]- 221.96899 136.0
[M]+ 200.99377 134.9
[M]- 200.99487 134.9
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

No patent data available for this compound.