CID 12115993

1-methanesulfonylpiperidine-4-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO3S
SMILES
CS(=O)(=O)N1CCC(CC1)C(=O)Cl
InChI
InChI=1S/C7H12ClNO3S/c1-13(11,12)9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3
InChIKey
NUDMYXJXBUZNNO-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

225.02264 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02992 143.2
[M+Na]+ 248.01186 150.7
[M-H]- 224.01536 145.4
[M+NH4]+ 243.05646 161.3
[M+K]+ 263.98580 147.7
[M+H-H2O]+ 208.01990 138.6
[M+HCOO]- 270.02084 151.7
[M+CH3COO]- 284.03649 182.6
[M+Na-2H]- 245.99731 145.1
[M]+ 225.02209 144.2
[M]- 225.02319 144.2
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

patents stripe