CID 15986686

5-sulfopentanoic acid

Structural Information

Molecular Formula
C5H10O5S
SMILES
C(CCS(=O)(=O)O)CC(=O)O
InChI
InChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10)
InChIKey
WMAZPKZPRMNATL-UHFFFAOYSA-N
Compound name
5-sulfopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

182.02489 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03217 135.0
[M+Na]+ 205.01411 142.1
[M-H]- 181.01761 132.7
[M+NH4]+ 200.05871 153.7
[M+K]+ 220.98805 140.3
[M+H-H2O]+ 165.02215 130.7
[M+HCOO]- 227.02309 149.7
[M+CH3COO]- 241.03874 171.4
[M+Na-2H]- 202.99956 138.0
[M]+ 182.02434 138.1
[M]- 182.02544 138.1
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