CID 89187

19578-92-8

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C11H16O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8,12H,6H2,1-3H3
InChIKey
KWJDGWGMDAQESJ-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

196.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 142.4
[M+Na]+ 219.099158 150.0
[M-H]- 195.102664 145.0
[M+NH4]+ 214.143763 161.6
[M+K]+ 235.073098 148.9
[M+H-H2O]+ 179.107200 136.8
[M+HCOO]- 241.108141 164.5
[M+CH3COO]- 255.123791 183.9
[M+Na-2H]- 217.084606 146.4
[M]+ 196.10939142 145.7
[M]- 196.11048858 145.7
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