CID 23607731

[1-(benzenesulfonyl)piperidin-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
C1CN(CCC1CN)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2O2S/c13-10-11-6-8-14(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-5,11H,6-10,13H2
InChIKey
NXQOXZDEXRNDJU-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

254.1089 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 156.2
[M+Na]+ 277.09812 161.7
[M-H]- 253.10162 160.3
[M+NH4]+ 272.14272 171.4
[M+K]+ 293.07206 157.6
[M+H-H2O]+ 237.10616 148.7
[M+HCOO]- 299.10710 170.2
[M+CH3COO]- 313.12275 191.7
[M+Na-2H]- 275.08357 159.0
[M]+ 254.10835 152.7
[M]- 254.10945 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe