CID 203566

Phenol, 2-heptyl-5-propoxy-

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCCCCC1=C(C=C(C=C1)OCCC)O
InChI
InChI=1S/C16H26O2/c1-3-5-6-7-8-9-14-10-11-15(13-16(14)17)18-12-4-2/h10-11,13,17H,3-9,12H2,1-2H3
InChIKey
HNMWUEKPHKTQAG-UHFFFAOYSA-N
Compound name
2-heptyl-5-propoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 162.3
[M+Na]+ 273.18250 168.1
[M-H]- 249.18600 163.8
[M+NH4]+ 268.22710 179.4
[M+K]+ 289.15644 164.6
[M+H-H2O]+ 233.19054 155.7
[M+HCOO]- 295.19148 183.4
[M+CH3COO]- 309.20713 196.1
[M+Na-2H]- 271.16795 164.8
[M]+ 250.19273 166.5
[M]- 250.19383 166.5
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.