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]+ 150.058336 129.5
[M+Na]+ 172.040278 137.4
[M-H]- 148.043784 129.6
[M+NH4]+ 167.084883 150.8
[M+K]+ 188.014218 135.1
[M+H-H2O]+ 132.048320 124.8
[M+HCOO]- 194.049261 147.9
[M+CH3COO]- 208.064911 173.0
[M+Na-2H]- 170.025726 133.3
[M]+ 149.05051142 130.7
[M]- 149.05160858 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.