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

27
Patents

118.045235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 118.3
[M+Na]+ 141.034453 124.0
[M-H]- 117.037959 120.7
[M+NH4]+ 136.079058 135.8
[M+K]+ 157.008393 125.8
[M+H-H2O]+ 101.042495 109.5
[M+HCOO]- 163.043436 134.0
[M+CH3COO]- 177.059086 168.8
[M+Na-2H]- 139.019901 122.9
[M]+ 118.04468642 126.8
[M]- 118.04578358 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