CID 19078139

(2-aminoethanesulfonyl)ethene hydrochloride

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C=CS(=O)(=O)CCN
InChI
InChI=1S/C4H9NO2S/c1-2-8(6,7)4-3-5/h2H,1,3-5H2
InChIKey
VKHFJWGJEUDKBG-UHFFFAOYSA-N
Compound name
2-ethenylsulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

135.0354 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 124.8
[M+Na]+ 158.02462 133.1
[M-H]- 134.02812 125.1
[M+NH4]+ 153.06922 146.6
[M+K]+ 173.99856 131.0
[M+H-H2O]+ 118.03266 120.3
[M+HCOO]- 180.03360 143.5
[M+CH3COO]- 194.04925 170.6
[M+Na-2H]- 156.01007 129.1
[M]+ 135.03485 125.7
[M]- 135.03595 125.7
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.