CID 23028605

4-methanesulfonylbutan-1-ol

Structural Information

Molecular Formula
C5H12O3S
SMILES
CS(=O)(=O)CCCCO
InChI
InChI=1S/C5H12O3S/c1-9(7,8)5-3-2-4-6/h6H,2-5H2,1H3
InChIKey
YUSVCVRGEYRMCK-UHFFFAOYSA-N
Compound name
4-methylsulfonylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

152.05072 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05800 129.7
[M+Na]+ 175.03994 137.6
[M-H]- 151.04344 129.1
[M+NH4]+ 170.08454 150.8
[M+K]+ 191.01388 136.1
[M+H-H2O]+ 135.04798 125.6
[M+HCOO]- 197.04892 146.4
[M+CH3COO]- 211.06457 169.9
[M+Na-2H]- 173.02539 133.9
[M]+ 152.05017 133.2
[M]- 152.05127 133.2
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