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]+ 221.131816 149.4
[M+Na]+ 243.113758 154.3
[M-H]- 219.117264 150.3
[M+NH4]+ 238.158363 166.3
[M+K]+ 259.087698 152.1
[M+H-H2O]+ 203.121800 143.1
[M+HCOO]- 265.122741 161.5
[M+CH3COO]- 279.138391 187.8
[M+Na-2H]- 241.099206 149.8
[M]+ 220.12399142 146.7
[M]- 220.12508858 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.