CID 12729668

62319-13-5

Structural Information

Molecular Formula
C11H18O4S
SMILES
CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)OC)C
InChI
InChI=1S/C11H18O4S/c1-10(2)8-4-5-11(10,9(12)6-8)7-16(13,14)15-3/h8H,4-7H2,1-3H3/t8-,11-/m1/s1
InChIKey
PIZJIRRXGXBJAU-LDYMZIIASA-N
Compound name
methyl [(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

246.09258 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09986 156.0
[M+Na]+ 269.08180 162.5
[M+NH4]+ 264.12640 166.0
[M+K]+ 285.05574 156.5
[M-H]- 245.08530 153.6
[M+Na-2H]- 267.06725 158.2
[M]+ 246.09203 156.7
[M]- 246.09313 156.7
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.