CID 11668

Ethanesulfonic acid

Structural Information

Molecular Formula
C2H6O3S
SMILES
CCS(=O)(=O)O
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-N
Compound name
ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

382
References

80687
Patents

110.00377 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.011046 116.2
[M+Na]+ 132.992988 125.4
[M-H]- 108.996494 116.1
[M+NH4]+ 128.037593 139.0
[M+K]+ 148.966928 124.6
[M+H-H2O]+ 93.001030 112.7
[M+HCOO]- 155.001971 133.8
[M+CH3COO]- 169.017621 160.8
[M+Na-2H]- 130.978436 121.9
[M]+ 110.00322142 118.6
[M]- 110.00431858 118.6
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