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 147.9
[M+Na]+ 242.08213 155.6
[M-H]- 218.08563 149.2
[M+NH4]+ 237.12673 169.3
[M+K]+ 258.05607 154.1
[M+H-H2O]+ 202.09017 143.6
[M+HCOO]- 264.09111 160.1
[M+CH3COO]- 278.10676 185.0
[M+Na-2H]- 240.06758 150.6
[M]+ 219.09236 150.0
[M]- 219.09346 150.0
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