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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.080836	151.6
[M+Na]+	267.062778	162.6
[M-H]-	243.066284	159.5
[M+NH4]+	262.107383	172.9
[M+K]+	283.036718	161.3
[M+H-H2O]+	227.070820	148.8
[M+HCOO]-	289.071761	171.2
[M+CH3COO]-	303.087411	194.7
[M+Na-2H]-	265.048226	153.6
[M]+	244.07301142	155.8
[M]-	244.07410858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe