CID 3490858

4-(dodecyloxy)phenol

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15,19H,2-11,16H2,1H3
InChIKey
FHXJDKPJCDJBEM-UHFFFAOYSA-N
Compound name
4-dodecoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1359
Patents

278.22458 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 171.9
[M+Na]+ 301.213798 175.8
[M-H]- 277.217304 172.6
[M+NH4]+ 296.258403 187.5
[M+K]+ 317.187738 171.8
[M+H-H2O]+ 261.221840 164.6
[M+HCOO]- 323.222781 192.3
[M+CH3COO]- 337.238431 200.9
[M+Na-2H]- 299.199246 174.0
[M]+ 278.22403142 176.4
[M]- 278.22512858 176.4
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