CID 214535

1-(2,3-dimethoxyphenyl)propan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.10994 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe