CID 4778221

1-(4-methoxybenzenesulfonyl)piperidin-4-amine hydrochloride

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChIKey
BGTORACXJFLSNT-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.10382 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 159.4
[M+Na]+ 293.09304 165.6
[M-H]- 269.09654 163.8
[M+NH4]+ 288.13764 174.2
[M+K]+ 309.06698 162.0
[M+H-H2O]+ 253.10108 151.9
[M+HCOO]- 315.10202 173.5
[M+CH3COO]- 329.11767 195.1
[M+Na-2H]- 291.07849 161.8
[M]+ 270.10327 157.7
[M]- 270.10437 157.7
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