CID 409758

2-methylpropane-2-sulfonic acid

Structural Information

Molecular Formula
C4H10O3S
SMILES
CC(C)(C)S(=O)(=O)O
InChI
InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)
InChIKey
XCJGLBWDZKLQCY-UHFFFAOYSA-N
Compound name
2-methylpropane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3255
Patents

138.03506 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.04234 125.4
[M+Na]+ 161.02428 134.2
[M-H]- 137.02778 125.3
[M+NH4]+ 156.06888 147.2
[M+K]+ 176.99822 133.3
[M+H-H2O]+ 121.03232 122.1
[M+HCOO]- 183.03326 140.9
[M+CH3COO]- 197.04891 166.6
[M+Na-2H]- 159.00973 131.0
[M]+ 138.03451 127.9
[M]- 138.03561 127.9
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