CID 13542889

(1r)-1-(3,4-dimethoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C10H14O3
SMILES
C[C@H](C1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C10H14O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7,11H,1-3H3/t7-/m1/s1
InChIKey
RTWOAVKBRMACKZ-SSDOTTSWSA-N
Compound name
(1R)-1-(3,4-dimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 138.0
[M+Na]+ 205.08352 150.3
[M+NH4]+ 200.12812 145.9
[M+K]+ 221.05746 145.0
[M-H]- 181.08702 139.3
[M+Na-2H]- 203.06897 143.8
[M]+ 182.09375 140.0
[M]- 182.09485 140.0
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