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 147.2
[M+Na]+ 243.04502 156.0
[M-H]- 219.04852 156.0
[M+NH4]+ 238.08962 169.8
[M+K]+ 259.01896 154.1
[M+H-H2O]+ 203.05306 143.2
[M+HCOO]- 265.05400 164.6
[M+CH3COO]- 279.06965 161.1
[M+Na-2H]- 241.03047 147.8
[M]+ 220.05525 148.2
[M]- 220.05635 148.2
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.