CID 203662

Phenol, 2-heptyl-5-(isopentyloxy)-

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCCCCCC1=C(C=C(C=C1)OCCC(C)C)O
InChI
InChI=1S/C18H30O2/c1-4-5-6-7-8-9-16-10-11-17(14-18(16)19)20-13-12-15(2)3/h10-11,14-15,19H,4-9,12-13H2,1-3H3
InChIKey
MYSZMPRCMQULHI-UHFFFAOYSA-N
Compound name
2-heptyl-5-(3-methylbutoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 171.1
[M+Na]+ 301.21380 182.2
[M+NH4]+ 296.25840 178.2
[M+K]+ 317.18774 174.5
[M-H]- 277.21730 172.5
[M+Na-2H]- 299.19925 175.2
[M]+ 278.22403 173.0
[M]- 278.22513 173.0
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.