CID 20036769

2-(4-aminobutanesulfonyl)ethan-1-ol

Structural Information

Molecular Formula
C6H15NO3S
SMILES
C(CCS(=O)(=O)CCO)CN
InChI
InChI=1S/C6H15NO3S/c7-3-1-2-5-11(9,10)6-4-8/h8H,1-7H2
InChIKey
SVNJKHCDMNQIBG-UHFFFAOYSA-N
Compound name
2-(4-aminobutylsulfonyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.07727 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08455 139.6
[M+Na]+ 204.06649 146.5
[M+NH4]+ 199.11109 145.6
[M+K]+ 220.04043 141.1
[M-H]- 180.06999 137.1
[M+Na-2H]- 202.05194 140.5
[M]+ 181.07672 139.8
[M]- 181.07782 139.8
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