CID 49817087

1-(2-methanesulfonylethyl)piperidin-4-amine

Structural Information

Molecular Formula
C8H18N2O2S
SMILES
CS(=O)(=O)CCN1CCC(CC1)N
InChI
InChI=1S/C8H18N2O2S/c1-13(11,12)7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
InChIKey
QALGAOIRWPAJNR-UHFFFAOYSA-N
Compound name
1-(2-methylsulfonylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

206.1089 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116176 145.2
[M+Na]+ 229.098118 150.8
[M-H]- 205.101624 146.2
[M+NH4]+ 224.142723 162.7
[M+K]+ 245.072058 148.4
[M+H-H2O]+ 189.106160 139.0
[M+HCOO]- 251.107101 158.7
[M+CH3COO]- 265.122751 184.0
[M+Na-2H]- 227.083566 147.1
[M]+ 206.10835142 142.7
[M]- 206.10944858 142.7
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