CID 100210

Dipso

Structural Information

Molecular Formula
C7H17NO6S
SMILES
C(CO)N(CCO)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)
InChIKey
XCBLFURAFHFFJF-UHFFFAOYSA-N
Compound name
3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6644
Patents

243.07765 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08493 150.9
[M+Na]+ 266.06687 154.7
[M-H]- 242.07037 146.4
[M+NH4]+ 261.11147 165.7
[M+K]+ 282.04081 153.3
[M+H-H2O]+ 226.07491 145.4
[M+HCOO]- 288.07585 163.3
[M+CH3COO]- 302.09150 184.2
[M+Na-2H]- 264.05232 152.1
[M]+ 243.07710 153.3
[M]- 243.07820 153.3
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

No patent data available for this compound.