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

43
Patents

166.06636 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.073636 132.8
[M+Na]+ 189.055578 140.3
[M-H]- 165.059084 133.6
[M+NH4]+ 184.100183 154.0
[M+K]+ 205.029518 140.4
[M+H-H2O]+ 149.063620 128.5
[M+HCOO]- 211.064561 148.7
[M+CH3COO]- 225.080211 177.3
[M+Na-2H]- 187.041026 134.9
[M]+ 166.06581142 137.4
[M]- 166.06690858 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