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]+ 279.231856 171.9
[M+Na]+ 301.213798 176.6
[M-H]- 277.217304 173.2
[M+NH4]+ 296.258403 187.8
[M+K]+ 317.187738 173.1
[M+H-H2O]+ 261.221840 165.1
[M+HCOO]- 323.222781 191.4
[M+CH3COO]- 337.238431 202.9
[M+Na-2H]- 299.199246 172.1
[M]+ 278.22403142 176.2
[M]- 278.22512858 176.2
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.