CID 53422896

21147-23-9

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=C(C=CC(C1)(O)OC)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H16O4/c1-18-13-10-15(17,19-2)9-8-12(13)14(16)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKey
AZXOQRSOWDOQJS-UHFFFAOYSA-N
Compound name
(4-hydroxy-2,4-dimethoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

260.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.6
[M+Na]+ 283.09408 164.9
[M-H]- 259.09758 163.3
[M+NH4]+ 278.13868 175.4
[M+K]+ 299.06802 162.7
[M+H-H2O]+ 243.10212 150.9
[M+HCOO]- 305.10306 178.8
[M+CH3COO]- 319.11871 192.9
[M+Na-2H]- 281.07953 162.3
[M]+ 260.10431 159.3
[M]- 260.10541 159.3
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

patents stripe