CID 2761087

5-(methylsulfonyl)-2-piperidin-1-ylaniline

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)N
InChI
InChI=1S/C12H18N2O2S/c1-17(15,16)10-5-6-12(11(13)9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKey
ZFSSZKHDZLBLAU-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-2-piperidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.1089 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 156.3
[M+Na]+ 277.098118 162.7
[M-H]- 253.101624 160.8
[M+NH4]+ 272.142723 171.8
[M+K]+ 293.072058 158.6
[M+H-H2O]+ 237.106160 149.0
[M+HCOO]- 299.107101 170.2
[M+CH3COO]- 313.122751 192.9
[M+Na-2H]- 275.083566 158.4
[M]+ 254.10835142 153.2
[M]- 254.10944858 153.2
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