CID 21090392

1-(propane-2-sulfonyl)piperidin-4-amine hydrochloride

Structural Information

Molecular Formula
C8H18N2O2S
SMILES
CC(C)S(=O)(=O)N1CCC(CC1)N
InChI
InChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
InChIKey
MDLGBMRXMCKQMX-UHFFFAOYSA-N
Compound name
1-propan-2-ylsulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

206.1089 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11618 145.0
[M+Na]+ 229.09812 150.4
[M-H]- 205.10162 146.2
[M+NH4]+ 224.14272 162.5
[M+K]+ 245.07206 148.5
[M+H-H2O]+ 189.10616 139.0
[M+HCOO]- 251.10710 157.5
[M+CH3COO]- 265.12275 184.8
[M+Na-2H]- 227.08357 145.9
[M]+ 206.10835 141.9
[M]- 206.10945 141.9
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