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]+ 136.042676 124.8
[M+Na]+ 158.024618 133.1
[M-H]- 134.028124 125.1
[M+NH4]+ 153.069223 146.6
[M+K]+ 173.998558 131.0
[M+H-H2O]+ 118.032660 120.3
[M+HCOO]- 180.033601 143.5
[M+CH3COO]- 194.049251 170.6
[M+Na-2H]- 156.010066 129.1
[M]+ 135.03485142 125.7
[M]- 135.03594858 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

patents stripe