CID 5321851

2-(2-hydroxy-5-propylphenyl)-4-propylphenol

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O
InChI
InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
InChIKey
OYAQUBKYAKSHOA-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-propylphenyl)-4-propylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

800
Patents

270.162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 164.5
[M+Na]+ 293.151218 172.2
[M-H]- 269.154724 168.9
[M+NH4]+ 288.195823 180.2
[M+K]+ 309.125158 166.9
[M+H-H2O]+ 253.159260 157.5
[M+HCOO]- 315.160201 185.0
[M+CH3COO]- 329.175851 197.7
[M+Na-2H]- 291.136666 166.7
[M]+ 270.16145142 165.8
[M]- 270.16254858 165.8
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