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

73
Patents

134.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 128.0
[M+Na]+ 157.06576 135.0
[M-H]- 133.06926 128.6
[M+NH4]+ 152.11036 150.7
[M+K]+ 173.03970 134.8
[M+H-H2O]+ 117.07380 123.3
[M+HCOO]- 179.07474 145.5
[M+CH3COO]- 193.09039 174.0
[M+Na-2H]- 155.05121 130.3
[M]+ 134.07599 132.2
[M]- 134.07709 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