CID 58553175

1403992-09-5

Structural Information

Molecular Formula

C₈H₁₄ClNO₄S

SMILES

COC(=O)CC1CCN(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C8H14ClNO4S/c1-14-8(11)6-7-2-4-10(5-3-7)15(9,12)13/h7H,2-6H2,1H3

InChIKey

HTGHTQJETZNXHV-UHFFFAOYSA-N

Compound name

methyl 2-(1-chlorosulfonylpiperidin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.0332 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe