CID 74705

Propyl methanesulfonate

Structural Information

Molecular Formula
C4H10O3S
SMILES
CCCOS(=O)(=O)C
InChI
InChI=1S/C4H10O3S/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKey
DKORSYDQYFVQNS-UHFFFAOYSA-N
Compound name
propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2458
Patents

138.03506 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.04234 127.8
[M+Na]+ 161.02428 137.4
[M+NH4]+ 156.06888 135.3
[M+K]+ 176.99822 131.4
[M-H]- 137.02778 126.0
[M+Na-2H]- 159.00973 130.5
[M]+ 138.03451 129.0
[M]- 138.03561 129.0
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