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 138.2
[M+Na]+ 204.06649 144.7
[M-H]- 180.06999 136.5
[M+NH4]+ 199.11109 157.3
[M+K]+ 220.04043 142.2
[M+H-H2O]+ 164.07453 133.2
[M+HCOO]- 226.07547 154.8
[M+CH3COO]- 240.09112 177.2
[M+Na-2H]- 202.05194 141.2
[M]+ 181.07672 140.1
[M]- 181.07782 140.1
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