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
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

219.09291 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.100186 147.9
[M+Na]+ 242.082128 155.6
[M-H]- 218.085634 149.2
[M+NH4]+ 237.126733 169.3
[M+K]+ 258.056068 154.1
[M+H-H2O]+ 202.090170 143.6
[M+HCOO]- 264.091111 160.1
[M+CH3COO]- 278.106761 185.0
[M+Na-2H]- 240.067576 150.6
[M]+ 219.09236142 150.0
[M]- 219.09345858 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