CID 83233

4-methyl-2-nonylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCCCCCCC1=C(C=CC(=C1)C)O
InChI
InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-10-15-13-14(2)11-12-16(15)17/h11-13,17H,3-10H2,1-2H3
InChIKey
OILMLWAZYNVPMG-UHFFFAOYSA-N
Compound name
4-methyl-2-nonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1876
Patents

234.19836 Da
Monoisotopic Mass

6.5
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

literature stripe

Patent stripe

patents stripe