CID 155973518

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

Structural Information

Molecular Formula
C12H19ClO4S
SMILES
COC(=O)C1CCC2(CC1)CC(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C12H19ClO4S/c1-17-11(14)10-2-4-12(5-3-10)6-9(7-12)8-18(13,15)16/h9-10H,2-8H2,1H3
InChIKey
JONLYAZXJDMNNM-UHFFFAOYSA-N
Compound name
methyl 2-(chlorosulfonylmethyl)spiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.06924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07652 153.8
[M+Na]+ 317.05846 158.0
[M-H]- 293.06196 158.3
[M+NH4]+ 312.10306 166.0
[M+K]+ 333.03240 157.9
[M+H-H2O]+ 277.06650 144.8
[M+HCOO]- 339.06744 160.7
[M+CH3COO]- 353.08309 197.4
[M+Na-2H]- 315.04391 155.9
[M]+ 294.06869 164.3
[M]- 294.06979 164.3
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.