CID 44257041

Carajuron

Structural Information

Molecular Formula
C16H15O5
SMILES
COC1=C(C(C=C2C1C=CC(=[O+]2)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C16H14O5/c1-20-16-11-6-7-13(9-2-4-10(17)5-3-9)21-14(11)8-12(18)15(16)19/h2-8,11-12,18H,1H3,(H-,17,19)/p+1
InChIKey
ZQBQYJKZPOPIES-UHFFFAOYSA-O
Compound name
2-(4-hydroxyphenyl)-5-methoxy-4a,7-dihydrochromen-1-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.09195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09923 165.2
[M+Na]+ 310.08117 173.8
[M-H]- 286.08467 170.8
[M+NH4]+ 305.12577 178.6
[M+K]+ 326.05511 165.2
[M+H-H2O]+ 270.08921 160.7
[M+HCOO]- 332.09015 182.2
[M+CH3COO]- 346.10580 188.6
[M+Na-2H]- 308.06662 172.7
[M]+ 287.09140 165.5
[M]- 287.09250 165.5
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