CID 10467594

Obtusaquinol

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=C(C=C(C(=C1)O)C(C=C)C2=CC=CC=C2)O
InChI
InChI=1S/C16H16O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12,17-18H,1H2,2H3
InChIKey
OUERCVVUXKKXCW-UHFFFAOYSA-N
Compound name
2-methoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.8
[M+Na]+ 279.09917 165.3
[M-H]- 255.10267 162.2
[M+NH4]+ 274.14377 173.5
[M+K]+ 295.07311 160.9
[M+H-H2O]+ 239.10721 150.9
[M+HCOO]- 301.10815 178.3
[M+CH3COO]- 315.12380 192.7
[M+Na-2H]- 277.08462 160.5
[M]+ 256.10940 158.0
[M]- 256.11050 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.