CID 23831

Hepes

Structural Information

Molecular Formula
C8H18N2O4S
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)O
InChI
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14026
References

17420
Patents

238.09872 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10600 152.5
[M+Na]+ 261.08794 157.8
[M-H]- 237.09144 149.8
[M+NH4]+ 256.13254 166.3
[M+K]+ 277.06188 154.9
[M+H-H2O]+ 221.09598 146.1
[M+HCOO]- 283.09692 161.8
[M+CH3COO]- 297.11257 181.7
[M+Na-2H]- 259.07339 154.4
[M]+ 238.09817 151.4
[M]- 238.09927 151.4
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