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
5
Annotation Hits

2
References

995
Patents

196.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 141.5
[M+Na]+ 219.09916 150.3
[M-H]- 195.10266 144.4
[M+NH4]+ 214.14376 161.1
[M+K]+ 235.07310 148.7
[M+H-H2O]+ 179.10720 136.0
[M+HCOO]- 241.10814 164.6
[M+CH3COO]- 255.12379 184.3
[M+Na-2H]- 217.08461 146.1
[M]+ 196.10939 145.8
[M]- 196.11049 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