CID 65617

Reychler's acid

Structural Information

Molecular Formula
C10H16O4S
SMILES
CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C
InChI
InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1
InChIKey
MIOPJNTWMNEORI-GMSGAONNSA-N
Compound name
[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

134
References

110446
Patents

232.07693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08421 150.6
[M+Na]+ 255.06615 160.3
[M-H]- 231.06965 152.6
[M+NH4]+ 250.11075 177.7
[M+K]+ 271.04009 157.8
[M+H-H2O]+ 215.07419 150.0
[M+HCOO]- 277.07513 164.6
[M+CH3COO]- 291.09078 183.4
[M+Na-2H]- 253.05160 155.1
[M]+ 232.07638 154.7
[M]- 232.07748 154.7
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

No patent data available for this compound.