CID 202350

Ethanethiol, 2-isobutyloxy-

Structural Information

Molecular Formula
C6H14OS
SMILES
CC(C)COCCS
InChI
InChI=1S/C6H14OS/c1-6(2)5-7-3-4-8/h6,8H,3-5H2,1-2H3
InChIKey
CVUFRTUIEZCYQC-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

134.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 128.0
[M+Na]+ 157.065758 135.0
[M-H]- 133.069264 128.6
[M+NH4]+ 152.110363 150.7
[M+K]+ 173.039698 134.8
[M+H-H2O]+ 117.073800 123.3
[M+HCOO]- 179.074741 145.5
[M+CH3COO]- 193.090391 174.0
[M+Na-2H]- 155.051206 130.3
[M]+ 134.07599142 132.2
[M]- 134.07708858 132.2
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