CID 6387

2-methyl-2-propanethiol

Structural Information

Molecular Formula
C4H10S
SMILES
CC(C)(C)S
InChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChIKey
WMXCDAVJEZZYLT-UHFFFAOYSA-N
Compound name
2-methylpropane-2-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

24
References

48568
Patents

90.05032 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.057596 115.3
[M+Na]+ 113.03954 123.9
[M-H]- 89.043044 116.6
[M+NH4]+ 108.08414 140.0
[M+K]+ 129.01348 123.8
[M+H-H2O]+ 73.047580 111.8
[M+HCOO]- 135.04852 132.8
[M+CH3COO]- 149.06417 165.6
[M+Na-2H]- 111.02499 120.4
[M]+ 90.049771 117.4
[M]- 90.050869 117.4
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