CID 3016110

4-(3-hydroxybutyl)-2-methoxyphenol

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3
InChIKey
GTLGHKNKLRZSMO-UHFFFAOYSA-N
Compound name
4-(3-hydroxybutyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

196.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.1
[M+Na]+ 219.09916 154.6
[M+NH4]+ 214.14376 150.5
[M+K]+ 235.07310 149.4
[M-H]- 195.10266 143.8
[M+Na-2H]- 217.08461 148.0
[M]+ 196.10939 144.8
[M]- 196.11049 144.8
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

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