CID 13261213

Hex-5-en-2-yl methanesulfonate

Structural Information

Molecular Formula
C7H14O3S
SMILES
CC(CCC=C)OS(=O)(=O)C
InChI
InChI=1S/C7H14O3S/c1-4-5-6-7(2)10-11(3,8)9/h4,7H,1,5-6H2,2-3H3
InChIKey
HTWDAOKLAUYDFX-UHFFFAOYSA-N
Compound name
hex-5-en-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

178.06636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07364 136.6
[M+Na]+ 201.05558 144.1
[M-H]- 177.05908 137.1
[M+NH4]+ 196.10018 157.2
[M+K]+ 217.02952 142.9
[M+H-H2O]+ 161.06362 132.0
[M+HCOO]- 223.06456 153.3
[M+CH3COO]- 237.08021 178.5
[M+Na-2H]- 199.04103 139.3
[M]+ 178.06581 141.4
[M]- 178.06691 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe