CID 524975

2,6-dimethoxy-4-propylphenol

Structural Information

Molecular Formula
C11H16O3
SMILES
CCCC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3
InChIKey
YHEWWEXPVKCVFY-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-propylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

1015
Patents

196.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 141.5
[M+Na]+ 219.099158 150.3
[M-H]- 195.102664 144.4
[M+NH4]+ 214.143763 161.1
[M+K]+ 235.073098 148.7
[M+H-H2O]+ 179.107200 136.0
[M+HCOO]- 241.108141 164.6
[M+CH3COO]- 255.123791 184.3
[M+Na-2H]- 217.084606 146.1
[M]+ 196.10939142 145.8
[M]- 196.11048858 145.8
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

patents stripe