CID 91338454

2,6-dimethoxy-4-(3-methoxypropyl)phenol

Structural Information

Molecular Formula
C12H18O4
SMILES
COCCCC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C12H18O4/c1-14-6-4-5-9-7-10(15-2)12(13)11(8-9)16-3/h7-8,13H,4-6H2,1-3H3
InChIKey
PKUJNLNTHPSJMV-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-(3-methoxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

226.12051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 149.1
[M+Na]+ 249.109728 157.4
[M-H]- 225.113234 151.8
[M+NH4]+ 244.154333 167.4
[M+K]+ 265.083668 156.1
[M+H-H2O]+ 209.117770 143.1
[M+HCOO]- 271.118711 172.1
[M+CH3COO]- 285.134361 189.4
[M+Na-2H]- 247.095176 153.2
[M]+ 226.11996142 155.2
[M]- 226.12105858 155.2
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