CID 17961908

2,4-dimethylpentane-3-thiol

Structural Information

Molecular Formula
C7H16S
SMILES
CC(C)C(C(C)C)S
InChI
InChI=1S/C7H16S/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChIKey
WRRMRLSGGXXEFU-UHFFFAOYSA-N
Compound name
2,4-dimethylpentane-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

132.09727 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10455 130.7
[M+Na]+ 155.08649 140.4
[M+NH4]+ 150.13109 139.9
[M+K]+ 171.06043 133.7
[M-H]- 131.08999 131.0
[M+Na-2H]- 153.07194 133.5
[M]+ 132.09672 132.6
[M]- 132.09782 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

No literature data available for this compound.

Patent stripe

patents stripe