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

2523
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 122.7
[M+Na]+ 162.96717 129.4
[M-H]- 138.97067 119.3
[M+NH4]+ 158.01177 142.0
[M+K]+ 178.94111 128.7
[M+H-H2O]+ 122.97521 118.5
[M+HCOO]- 184.97615 136.1
[M+CH3COO]- 198.99180 162.4
[M+Na-2H]- 160.95262 123.4
[M]+ 139.97740 122.7
[M]- 139.97850 122.7
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

patents stripe