CID 26975

4-pentylphenol

Structural Information

Molecular Formula
C11H16O
SMILES
CCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKey
ZNPSUQQXTRRSBM-UHFFFAOYSA-N
Compound name
4-pentylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

17314
Patents

164.12012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.5
[M+Na]+ 187.10934 149.5
[M+NH4]+ 182.15394 145.5
[M+K]+ 203.08328 141.9
[M-H]- 163.11284 138.9
[M+Na-2H]- 185.09479 143.6
[M]+ 164.11957 139.0
[M]- 164.12067 139.0
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