CID 83681708

3-methylthietan-3-ol

Structural Information

Molecular Formula
C4H8OS
SMILES
CC1(CSC1)O
InChI
InChI=1S/C4H8OS/c1-4(5)2-6-3-4/h5H,2-3H2,1H3
InChIKey
LJUDUAPODPCRRJ-UHFFFAOYSA-N
Compound name
3-methylthietan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

104.02959 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 113.0
[M+Na]+ 127.01881 118.9
[M+NH4]+ 122.06341 120.1
[M+K]+ 142.99275 112.6
[M-H]- 103.02231 111.7
[M+Na-2H]- 125.00426 117.2
[M]+ 104.02904 112.8
[M]- 104.03014 112.8
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