CID 109211

Popso

Structural Information

Molecular Formula
C10H22N2O8S2
SMILES
C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)
InChIKey
LVQFQZZGTZFUNF-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7604
Patents

362.08176 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08904 174.9
[M+Na]+ 385.07098 176.3
[M-H]- 361.07448 168.1
[M+NH4]+ 380.11558 181.3
[M+K]+ 401.04492 172.7
[M+H-H2O]+ 345.07902 169.1
[M+HCOO]- 407.07996 172.9
[M+CH3COO]- 421.09561 197.8
[M+Na-2H]- 383.05643 175.1
[M]+ 362.08121 174.0
[M]- 362.08231 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe