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 154.2
[M+Na]+ 269.08180 163.9
[M-H]- 245.08530 157.5
[M+NH4]+ 264.12640 181.5
[M+K]+ 285.05574 162.1
[M+H-H2O]+ 229.08984 153.2
[M+HCOO]- 291.09078 169.5
[M+CH3COO]- 305.10643 188.8
[M+Na-2H]- 267.06725 158.7
[M]+ 246.09203 160.5
[M]- 246.09313 160.5
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.