CID 49957

Decane-1-sulfonic acid

Structural Information

Molecular Formula
C10H22O3S
SMILES
CCCCCCCCCCS(=O)(=O)O
InChI
InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
InChIKey
KVGOXGQSTGQXDD-UHFFFAOYSA-N
Compound name
decane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

9493
Patents

222.12897 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13625 151.9
[M+Na]+ 245.11819 157.7
[M-H]- 221.12169 150.3
[M+NH4]+ 240.16279 170.2
[M+K]+ 261.09213 154.9
[M+H-H2O]+ 205.12623 146.8
[M+HCOO]- 267.12717 167.0
[M+CH3COO]- 281.14282 185.0
[M+Na-2H]- 243.10364 153.7
[M]+ 222.12842 157.3
[M]- 222.12952 157.3
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