CID 24148525

3-methoxy-5-[(e)-2-phenylethenyl]benzene-1,2-diol

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=CC(=CC(=C1O)O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+
InChIKey
WBBHYMRWGHBXLS-BQYQJAHWSA-N
Compound name
3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.4
[M+Na]+ 265.08352 161.7
[M-H]- 241.08702 158.0
[M+NH4]+ 260.12812 169.8
[M+K]+ 281.05746 157.0
[M+H-H2O]+ 225.09156 146.6
[M+HCOO]- 287.09250 175.3
[M+CH3COO]- 301.10815 188.1
[M+Na-2H]- 263.06897 157.9
[M]+ 242.09375 153.8
[M]- 242.09485 153.8
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

patents stripe