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 129.0
[M+Na]+ 155.08649 135.0
[M-H]- 131.08999 129.6
[M+NH4]+ 150.13109 151.6
[M+K]+ 171.06043 135.1
[M+H-H2O]+ 115.09453 124.4
[M+HCOO]- 177.09547 143.8
[M+CH3COO]- 191.11112 176.9
[M+Na-2H]- 153.07194 128.5
[M]+ 132.09672 130.8
[M]- 132.09782 130.8
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