CID 164701

L-serine o-sulfate

Structural Information

Molecular Formula
C3H7NO6S
SMILES
C([C@@H](C(=O)O)N)OS(=O)(=O)O
InChI
InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
LFZGUGJDVUUGLK-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-sulfooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

1659
Patents

184.9994 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.00668 132.5
[M+Na]+ 207.98862 138.8
[M-H]- 183.99212 129.6
[M+NH4]+ 203.03322 149.9
[M+K]+ 223.96256 138.1
[M+H-H2O]+ 167.99666 127.5
[M+HCOO]- 229.99760 147.2
[M+CH3COO]- 244.01325 173.2
[M+Na-2H]- 205.97407 134.8
[M]+ 184.99885 133.5
[M]- 184.99995 133.5
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