CID 177798538

4-(ethanesulfonyl)but-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CCS(=O)(=O)C/C=C/CN
InChI
InChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h3-4H,2,5-7H2,1H3/b4-3+
InChIKey
GKKYANOIPXLQKQ-ONEGZZNKSA-N
Compound name
(E)-4-ethylsulfonylbut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0667 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.073976 133.9
[M+Na]+ 186.055918 141.4
[M-H]- 162.059424 133.9
[M+NH4]+ 181.100523 154.6
[M+K]+ 202.029858 138.8
[M+H-H2O]+ 146.063960 129.1
[M+HCOO]- 208.064901 152.0
[M+CH3COO]- 222.080551 176.0
[M+Na-2H]- 184.041366 137.2
[M]+ 163.06615142 135.5
[M]- 163.06724858 135.5
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.