CID 100977177

247078-58-6

Structural Information

Molecular Formula
C13H22O4S
SMILES
CC(C)OS(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)CC2=O
InChI
InChI=1S/C13H22O4S/c1-9(2)17-18(15,16)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10-,13-/m1/s1
InChIKey
DEESZEDZRHEUOI-ZWNOBZJWSA-N
Compound name
propan-2-yl [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12387 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13115 163.0
[M+Na]+ 297.11309 171.4
[M-H]- 273.11659 165.9
[M+NH4]+ 292.15769 189.0
[M+K]+ 313.08703 169.7
[M+H-H2O]+ 257.12113 161.9
[M+HCOO]- 319.12207 176.4
[M+CH3COO]- 333.13772 195.5
[M+Na-2H]- 295.09854 165.5
[M]+ 274.12332 169.3
[M]- 274.12442 169.3
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.