CID 33771

Dihydrocyperaquinone

Structural Information

Molecular Formula
C14H12O4
SMILES
CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
InChI
InChI=1S/C14H12O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h5H,4H2,1-3H3
InChIKey
RMJXXSFMQXHKAC-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-ylidene-3H-furo[3,2-f][1]benzofuran-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 151.6
[M+Na]+ 267.06278 162.6
[M-H]- 243.06628 159.5
[M+NH4]+ 262.10738 172.9
[M+K]+ 283.03672 161.3
[M+H-H2O]+ 227.07082 148.8
[M+HCOO]- 289.07176 171.2
[M+CH3COO]- 303.08741 194.7
[M+Na-2H]- 265.04823 153.6
[M]+ 244.07301 155.8
[M]- 244.07411 155.8
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