CID 138991532

2309464-98-8

Structural Information

Molecular Formula
C8H14ClNO4S
SMILES
COC(=O)CC1CCCN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H14ClNO4S/c1-14-8(11)5-7-3-2-4-10(6-7)15(9,12)13/h7H,2-6H2,1H3
InChIKey
DVKZOQOQPPSVCT-UHFFFAOYSA-N
Compound name
methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04048 150.6
[M+Na]+ 278.02242 157.5
[M-H]- 254.02592 152.6
[M+NH4]+ 273.06702 167.4
[M+K]+ 293.99636 154.9
[M+H-H2O]+ 238.03046 145.7
[M+HCOO]- 300.03140 159.0
[M+CH3COO]- 314.04705 187.0
[M+Na-2H]- 276.00787 152.2
[M]+ 255.03265 153.3
[M]- 255.03375 153.3
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.