CID 474197

2-methyl-1,3-disulfanylpropan-2-ol

Structural Information

Molecular Formula
C4H10OS2
SMILES
CC(CS)(CS)O
InChI
InChI=1S/C4H10OS2/c1-4(5,2-6)3-7/h5-7H,2-3H2,1H3
InChIKey
YRVFHRCPZFFVIE-UHFFFAOYSA-N
Compound name
2-methyl-1,3-bis(sulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.0173 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02458 125.8
[M+Na]+ 161.00652 133.4
[M-H]- 137.01002 125.0
[M+NH4]+ 156.05112 147.5
[M+K]+ 176.98046 130.9
[M+H-H2O]+ 121.01456 121.6
[M+HCOO]- 183.01550 135.9
[M+CH3COO]- 197.03115 169.9
[M+Na-2H]- 158.99197 127.6
[M]+ 138.01675 127.9
[M]- 138.01785 127.9
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

No patent data available for this compound.