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
5
Annotation Hits

1
References

528
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 128.3
[M+Na]+ 157.06576 135.9
[M-H]- 133.06926 129.1
[M+NH4]+ 152.11036 151.1
[M+K]+ 173.03970 135.6
[M+H-H2O]+ 117.07380 124.1
[M+HCOO]- 179.07474 145.3
[M+CH3COO]- 193.09039 173.5
[M+Na-2H]- 155.05121 132.3
[M]+ 134.07599 132.6
[M]- 134.07709 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