CID 15773547

(3-methylthietan-3-yl)methanol

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1(CSC1)CO
InChI
InChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey
DGKBZCVRJYWBAE-UHFFFAOYSA-N
Compound name
(3-methylthietan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

118.045235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 117.3
[M+Na]+ 141.03445 123.0
[M+NH4]+ 136.07906 124.2
[M+K]+ 157.00839 116.5
[M-H]- 117.03796 115.9
[M+Na-2H]- 139.01990 121.3
[M]+ 118.04469 117.0
[M]- 118.04578 117.0
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