CID 5282095

5-(3-hydroxyprop-1-en-1-yl)-3-methoxybenzene-1,2-diol

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC(=CC(=C1O)O)/C=C/CO
InChI
InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+
InChIKey
NPNAJGCZQBQWQZ-NSCUHMNNSA-N
Compound name
5-[(E)-3-hydroxyprop-1-enyl]-3-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

196.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.2
[M+Na]+ 219.062778 148.8
[M-H]- 195.066284 140.5
[M+NH4]+ 214.107383 158.2
[M+K]+ 235.036718 145.6
[M+H-H2O]+ 179.070820 135.2
[M+HCOO]- 241.071761 160.9
[M+CH3COO]- 255.087411 176.9
[M+Na-2H]- 217.048226 144.3
[M]+ 196.07301142 141.0
[M]- 196.07410858 141.0
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

patents stripe