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

23
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 118.3
[M+Na]+ 141.03445 124.0
[M-H]- 117.03796 120.7
[M+NH4]+ 136.07906 135.8
[M+K]+ 157.00839 125.8
[M+H-H2O]+ 101.04250 109.5
[M+HCOO]- 163.04344 134.0
[M+CH3COO]- 177.05909 168.8
[M+Na-2H]- 139.01990 122.9
[M]+ 118.04469 126.8
[M]- 118.04578 126.8
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