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]+ 223.07471 146.4
[M+Na]+ 245.05665 152.6
[M-H]- 221.06015 145.5
[M+NH4]+ 240.10125 161.5
[M+K]+ 261.03059 150.8
[M+H-H2O]+ 205.06469 140.2
[M+HCOO]- 267.06563 156.8
[M+CH3COO]- 281.08128 181.2
[M+Na-2H]- 243.04210 148.2
[M]+ 222.06688 145.6
[M]- 222.06798 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