CID 17906788

P70oul0yif

Structural Information

Molecular Formula
C2H4O5S
SMILES
C(C(=O)O)(O)S(=O)O
InChI
InChI=1S/C2H4O5S/c3-1(4)2(5)8(6)7/h2,5H,(H,3,4)(H,6,7)
InChIKey
HVCNQTCZNBPWBV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-sulfinoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1696
Patents

139.97795 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98523 124.7
[M+Na]+ 162.96717 131.2
[M+NH4]+ 158.01177 130.0
[M+K]+ 178.94111 129.1
[M-H]- 138.97067 120.1
[M+Na-2H]- 160.95262 124.3
[M]+ 139.97740 124.1
[M]- 139.97850 124.1
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

patents stripe