CID 56828598

(1-acetylpiperidin-4-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H14ClNO3S
SMILES
CC(=O)N1CCC(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H14ClNO3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3
InChIKey
TVZIXXBSPCHQHQ-UHFFFAOYSA-N
Compound name
(1-acetylpiperidin-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04558 147.9
[M+Na]+ 262.02752 155.0
[M-H]- 238.03102 149.9
[M+NH4]+ 257.07212 165.5
[M+K]+ 278.00146 151.8
[M+H-H2O]+ 222.03556 143.1
[M+HCOO]- 284.03650 156.1
[M+CH3COO]- 298.05215 184.9
[M+Na-2H]- 260.01297 149.3
[M]+ 239.03775 149.1
[M]- 239.03885 149.1
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.