CID 65617

3144-16-9

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
3
Annotation Hits

134
References

100645
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 151.6
[M+Na]+ 255.06615 157.8
[M+NH4]+ 250.11075 161.4
[M+K]+ 271.04009 152.3
[M-H]- 231.06965 148.8
[M+Na-2H]- 253.05160 153.5
[M]+ 232.07638 152.1
[M]- 232.07748 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe