CID 12053774

4-methanesulfonylbut-1-yne

Structural Information

Molecular Formula
C5H8O2S
SMILES
CS(=O)(=O)CCC#C
InChI
InChI=1S/C5H8O2S/c1-3-4-5-8(2,6)7/h1H,4-5H2,2H3
InChIKey
OBQRIFORODSOHO-UHFFFAOYSA-N
Compound name
4-methylsulfonylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

132.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 122.2
[M+Na]+ 155.01372 132.2
[M+NH4]+ 150.05832 126.6
[M+K]+ 170.98766 123.3
[M-H]- 131.01722 113.3
[M+Na-2H]- 152.99917 123.1
[M]+ 132.02395 120.6
[M]- 132.02505 120.6
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