CID 16125705

35130-97-3

Structural Information

Molecular Formula
C9H17NO3S
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OS(=O)(=O)C
InChI
InChI=1S/C9H17NO3S/c1-10-7-3-4-8(10)6-9(5-7)13-14(2,11)12/h7-9H,3-6H2,1-2H3/t7-,8+,9?
InChIKey
JDDPSVBBPCQWAL-JVHMLUBASA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

219.09291 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10019 148.0
[M+Na]+ 242.08213 156.2
[M+NH4]+ 237.12673 155.9
[M+K]+ 258.05607 151.7
[M-H]- 218.08563 146.6
[M+Na-2H]- 240.06758 148.2
[M]+ 219.09236 149.0
[M]- 219.09346 149.0
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

patents stripe