CID 11435957

Chrycorin

Structural Information

Molecular Formula
C12H12O2S
SMILES
C1CC2=C(C(=O)CC2OC1)C3=CC=CS3
InChI
InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2
InChIKey
FCVWHDAKNZMSON-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-3,4,7,7a-tetrahydro-2H-cyclopenta[b]pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06308 146.4
[M+Na]+ 243.04502 157.6
[M+NH4]+ 238.08962 156.7
[M+K]+ 259.01896 152.7
[M-H]- 219.04852 151.7
[M+Na-2H]- 241.03047 150.9
[M]+ 220.05525 149.9
[M]- 220.05635 149.9
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

No patent data available for this compound.