CID 59842148

5-methanesulfonylpent-1-yne

Structural Information

Molecular Formula
C6H10O2S
SMILES
CS(=O)(=O)CCCC#C
InChI
InChI=1S/C6H10O2S/c1-3-4-5-6-9(2,7)8/h1H,4-6H2,2H3
InChIKey
XACDCVZZCVFSDH-UHFFFAOYSA-N
Compound name
5-methylsulfonylpent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.04015 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04743 126.1
[M+Na]+ 169.02937 135.9
[M+NH4]+ 164.07397 130.3
[M+K]+ 185.00331 126.8
[M-H]- 145.03287 117.1
[M+Na-2H]- 167.01482 126.7
[M]+ 146.03960 124.4
[M]- 146.04070 124.4
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.