CID 155822888

Methyl 2-(chlorosulfonyl)spiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula
C11H17ClO4S
SMILES
COC(=O)C1CCC2(CC1)CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H17ClO4S/c1-16-10(13)8-2-4-11(5-3-8)6-9(7-11)17(12,14)15/h8-9H,2-7H2,1H3
InChIKey
PPYZNXUZBHOHFD-UHFFFAOYSA-N
Compound name
methyl 2-chlorosulfonylspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.05362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06090 149.3
[M+Na]+ 303.04284 153.9
[M-H]- 279.04634 154.0
[M+NH4]+ 298.08744 162.1
[M+K]+ 319.01678 154.1
[M+H-H2O]+ 263.05088 140.5
[M+HCOO]- 325.05182 156.5
[M+CH3COO]- 339.06747 194.5
[M+Na-2H]- 301.02829 151.9
[M]+ 280.05307 159.5
[M]- 280.05417 159.5
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.