CID 92136118

(3,4-dimethoxyphenyl)methanol radical

Structural Information

Molecular Formula
C9H11O3
SMILES
COC1=C(C=C(C=C1)C[O])OC
InChI
InChI=1S/C9H11O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChIKey
QXYPKMKZEZSVGV-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07082 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07810 131.7
[M+Na]+ 190.06004 141.0
[M-H]- 166.06354 136.1
[M+NH4]+ 185.10464 152.9
[M+K]+ 206.03398 140.8
[M+H-H2O]+ 150.06808 126.2
[M+HCOO]- 212.06902 157.1
[M+CH3COO]- 226.08467 179.6
[M+Na-2H]- 188.04549 138.7
[M]+ 167.07027 136.8
[M]- 167.07137 136.8
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

No patent data available for this compound.