CID 487557

1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromen-6-one

Structural Information

Molecular Formula
C13H20O2
SMILES
C1CCC2C(C1)C3CCCCC3OC2=O
InChI
InChI=1S/C13H20O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h9-12H,1-8H2
InChIKey
YNRNRQJTLDTSKI-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 145.2
[M+Na]+ 231.13555 148.5
[M-H]- 207.13905 149.2
[M+NH4]+ 226.18015 164.3
[M+K]+ 247.10949 146.8
[M+H-H2O]+ 191.14359 138.7
[M+HCOO]- 253.14453 157.5
[M+CH3COO]- 267.16018 155.9
[M+Na-2H]- 229.12100 149.9
[M]+ 208.14578 137.3
[M]- 208.14688 137.3
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

No patent data available for this compound.