CID 165635264

4-methanesulfonylbut-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CS(=O)(=O)C/C=C/CN
InChI
InChI=1S/C5H11NO2S/c1-9(7,8)5-3-2-4-6/h2-3H,4-6H2,1H3/b3-2+
InChIKey
XYPIOKZJDPSUEB-NSCUHMNNSA-N
Compound name
(E)-4-methylsulfonylbut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05106 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 129.5
[M+Na]+ 172.04028 137.4
[M-H]- 148.04378 129.6
[M+NH4]+ 167.08488 150.8
[M+K]+ 188.01422 135.1
[M+H-H2O]+ 132.04832 124.8
[M+HCOO]- 194.04926 147.9
[M+CH3COO]- 208.06491 173.0
[M+Na-2H]- 170.02573 133.3
[M]+ 149.05051 130.7
[M]- 149.05161 130.7
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.