CID 64479327

1-(2-methylpropanesulfonyl)piperidin-4-amine hydrochloride

Structural Information

Molecular Formula
C9H20N2O2S
SMILES
CC(C)CS(=O)(=O)N1CCC(CC1)N
InChI
InChI=1S/C9H20N2O2S/c1-8(2)7-14(12,13)11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKey
BXBOEVIJVQVALV-UHFFFAOYSA-N
Compound name
1-(2-methylpropylsulfonyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12454 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13182 149.4
[M+Na]+ 243.11376 154.3
[M-H]- 219.11726 150.3
[M+NH4]+ 238.15836 166.3
[M+K]+ 259.08770 152.1
[M+H-H2O]+ 203.12180 143.1
[M+HCOO]- 265.12274 161.5
[M+CH3COO]- 279.13839 187.8
[M+Na-2H]- 241.09921 149.8
[M]+ 220.12399 146.7
[M]- 220.12509 146.7
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

No patent data available for this compound.