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 138.6
[M+Na]+ 217.06576 147.1
[M-H]- 193.06926 142.1
[M+NH4]+ 212.11036 161.5
[M+K]+ 233.03970 143.5
[M+H-H2O]+ 177.07380 134.1
[M+HCOO]- 239.07474 153.1
[M+CH3COO]- 253.09039 151.6
[M+Na-2H]- 215.05121 143.7
[M]+ 194.07599 138.4
[M]- 194.07709 138.4
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