CID 3016110

39728-80-8

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
2
Annotation Hits

1
References

355
Patents

196.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 143.1
[M+Na]+ 219.099158 150.3
[M-H]- 195.102664 144.3
[M+NH4]+ 214.143763 161.6
[M+K]+ 235.073098 148.3
[M+H-H2O]+ 179.107200 137.7
[M+HCOO]- 241.108141 163.7
[M+CH3COO]- 255.123791 181.4
[M+Na-2H]- 217.084606 146.6
[M]+ 196.10939142 144.5
[M]- 196.11048858 144.5
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