CID 19834253

127164-89-0

Structural Information

Molecular Formula
C11H14OS
SMILES
CC1(CCSC2=C1C=C(C=C2)O)C
InChI
InChI=1S/C11H14OS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKey
SXPBGVVXFMMVMX-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydrothiochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.07654 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08382 139.7
[M+Na]+ 217.06576 152.7
[M+NH4]+ 212.11036 151.7
[M+K]+ 233.03970 141.6
[M-H]- 193.06926 143.2
[M+Na-2H]- 215.05121 147.3
[M]+ 194.07599 143.3
[M]- 194.07709 143.3
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