CID 16243976

2-(4-methanesulfonylpiperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CS(=O)(=O)N1CCN(CC1)CC(=O)O
InChI
InChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-8(3-5-9)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey
ASTVJVUMCHLFHE-UHFFFAOYSA-N
Compound name
2-(4-methylsulfonylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.06743 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.074706 146.4
[M+Na]+ 245.056648 152.6
[M-H]- 221.060154 145.5
[M+NH4]+ 240.101253 161.5
[M+K]+ 261.030588 150.8
[M+H-H2O]+ 205.064690 140.2
[M+HCOO]- 267.065631 156.8
[M+CH3COO]- 281.081281 181.2
[M+Na-2H]- 243.042096 148.2
[M]+ 222.06688142 145.6
[M]- 222.06797858 145.6
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