CID 526195

4-methoxy-2-methyl-2-butanethiol

Structural Information

Molecular Formula
C6H14OS
SMILES
CC(C)(CCOC)S
InChI
InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3
InChIKey
XVHGKKGBUDMTIQ-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylbutane-2-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

478
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 128.3
[M+Na]+ 157.065758 135.9
[M-H]- 133.069264 129.1
[M+NH4]+ 152.110363 151.1
[M+K]+ 173.039698 135.6
[M+H-H2O]+ 117.073800 124.1
[M+HCOO]- 179.074741 145.3
[M+CH3COO]- 193.090391 173.5
[M+Na-2H]- 155.051206 132.3
[M]+ 134.07599142 132.6
[M]- 134.07708858 132.6
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