CID 10043694

14348-21-1

Structural Information

Molecular Formula

C₂₁H₂₂O₅

SMILES

CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC=C(C)C)C

InChI

InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3

InChIKey

HJMDOAWWVCOEDW-UHFFFAOYSA-N

Compound name

4,9-bis(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 22
Patents: 354.14673 Da
Monoisotopic Mass: 5.3
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]+	355.154006	184.9
[M+Na]+	377.135948	194.5
[M-H]-	353.139454	192.2
[M+NH4]+	372.180553	199.6
[M+K]+	393.109888	192.5
[M+H-H2O]+	337.143990	178.4
[M+HCOO]-	399.144931	204.7
[M+CH3COO]-	413.160581	215.7
[M+Na-2H]-	375.121396	187.5
[M]+	354.14618142	195.0
[M]-	354.14727858	195.0

Literature stripe

literature stripe

Patent stripe

patents stripe