CID 71832

46365-05-3

Structural Information

Molecular Formula
C10H16O4S
SMILES
CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C
InChI
InChI=1S/C10H16O4S/c1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKey
LKTRVKICUSKZGA-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72385
Patents

232.07693 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.084206 148.8
[M+Na]+ 255.066148 159.3
[M-H]- 231.069654 151.2
[M+NH4]+ 250.110753 176.2
[M+K]+ 271.040088 156.8
[M+H-H2O]+ 215.074190 148.7
[M+HCOO]- 277.075131 162.8
[M+CH3COO]- 291.090781 184.6
[M+Na-2H]- 253.051596 153.0
[M]+ 232.07638142 153.3
[M]- 232.07747858 153.3
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.