CID 131751058

Archangin

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC

InChI

InChI=1S/C15H14O4/c1-15(2,17-3)12-8-10-11(18-12)6-4-9-5-7-13(16)19-14(9)10/h4-8H,1-3H3

InChIKey

ZTUJKPWRKVDGPL-UHFFFAOYSA-N

Compound name

8-(2-methoxypropan-2-yl)furo[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.0892 Da
Monoisotopic Mass: 2.6
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]+	259.09648	154.1
[M+Na]+	281.07842	166.1
[M-H]-	257.08192	162.4
[M+NH4]+	276.12302	173.0
[M+K]+	297.05236	165.5
[M+H-H2O]+	241.08646	149.1
[M+HCOO]-	303.08740	176.1
[M+CH3COO]-	317.10305	195.8
[M+Na-2H]-	279.06387	164.1
[M]+	258.08865	162.9
[M]-	258.08975	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe