CID 147156

3-methylbutan-2-yl methanesulfonate

Structural Information

Molecular Formula
C6H14O3S
SMILES
CC(C)C(C)OS(=O)(=O)C
InChI
InChI=1S/C6H14O3S/c1-5(2)6(3)9-10(4,7)8/h5-6H,1-4H3
InChIKey
HREPGPGLHZOQGE-UHFFFAOYSA-N
Compound name
3-methylbutan-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

166.06636 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07364 132.8
[M+Na]+ 189.05558 140.3
[M-H]- 165.05908 133.6
[M+NH4]+ 184.10018 154.0
[M+K]+ 205.02952 140.4
[M+H-H2O]+ 149.06362 128.5
[M+HCOO]- 211.06456 148.7
[M+CH3COO]- 225.08021 177.3
[M+Na-2H]- 187.04103 134.9
[M]+ 166.06581 137.4
[M]- 166.06691 137.4
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

patents stripe