CID 66617741

(2s)-1-methanesulfonyl-2-methylpiperazine hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C[C@H]1CNCCN1S(=O)(=O)C
InChI
InChI=1S/C6H14N2O2S/c1-6-5-7-3-4-8(6)11(2,9)10/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
PSZFGHUEAYIHLB-LURJTMIESA-N
Compound name
(2S)-2-methyl-1-methylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

178.0776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 137.7
[M+Na]+ 201.066818 144.8
[M-H]- 177.070324 137.0
[M+NH4]+ 196.111423 155.0
[M+K]+ 217.040758 142.3
[M+H-H2O]+ 161.074860 131.8
[M+HCOO]- 223.075801 148.8
[M+CH3COO]- 237.091451 173.9
[M+Na-2H]- 199.052266 140.5
[M]+ 178.07705142 134.9
[M]- 178.07814858 134.9
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