CID 22833471

4-(3,5,7-trimethylnonyl)phenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCC(C)CC(C)CC(C)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-5-14(2)12-16(4)13-15(3)6-7-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3
InChIKey
ZLIZUPQZVMVLPA-UHFFFAOYSA-N
Compound name
4-(3,5,7-trimethylnonyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 169.5
[M+Na]+ 285.218898 172.9
[M-H]- 261.222404 170.6
[M+NH4]+ 280.263503 185.7
[M+K]+ 301.192838 169.8
[M+H-H2O]+ 245.226940 163.0
[M+HCOO]- 307.227881 186.8
[M+CH3COO]- 321.243531 201.5
[M+Na-2H]- 283.204346 167.9
[M]+ 262.22913142 170.7
[M]- 262.23022858 170.7
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

No patent data available for this compound.