CID 13607995

101769-01-1

Structural Information

Molecular Formula
C12H17NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2CCNCC2
InChI
InChI=1S/C12H17NO3S/c1-16-10-2-4-11(5-3-10)17(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKey
JMPBLOVCCHRJPM-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.09291 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 155.9
[M+Na]+ 278.08213 161.7
[M-H]- 254.08563 159.2
[M+NH4]+ 273.12673 170.9
[M+K]+ 294.05607 157.8
[M+H-H2O]+ 238.09017 148.9
[M+HCOO]- 300.09111 168.3
[M+CH3COO]- 314.10676 187.0
[M+Na-2H]- 276.06758 158.9
[M]+ 255.09236 153.7
[M]- 255.09346 153.7
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