CID 34303

2,4-dipentylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCCC1=CC(=C(C=C1)O)CCCCC
InChI
InChI=1S/C16H26O/c1-3-5-7-9-14-11-12-16(17)15(13-14)10-8-6-4-2/h11-13,17H,3-10H2,1-2H3
InChIKey
GKPNMUZVXNHWPX-UHFFFAOYSA-N
Compound name
2,4-dipentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

530
Patents

234.19836 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 158.9
[M+Na]+ 257.187578 164.8
[M-H]- 233.191084 160.5
[M+NH4]+ 252.232183 176.8
[M+K]+ 273.161518 160.8
[M+H-H2O]+ 217.195620 152.7
[M+HCOO]- 279.196561 179.9
[M+CH3COO]- 293.212211 194.2
[M+Na-2H]- 255.173026 161.5
[M]+ 234.19781142 161.7
[M]- 234.19890858 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe