CID 517850

8-phenyloctan-1-ol

Structural Information

Molecular Formula
C14H22O
SMILES
C1=CC=C(C=C1)CCCCCCCCO
InChI
InChI=1S/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
InChIKey
MGIGATOGROSKNW-UHFFFAOYSA-N
Compound name
8-phenyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

733
Patents

206.16707 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 150.8
[M+Na]+ 229.15629 155.6
[M-H]- 205.15979 151.9
[M+NH4]+ 224.20089 169.1
[M+K]+ 245.13023 152.1
[M+H-H2O]+ 189.16433 144.4
[M+HCOO]- 251.16527 172.4
[M+CH3COO]- 265.18092 185.9
[M+Na-2H]- 227.14174 155.8
[M]+ 206.16652 152.1
[M]- 206.16762 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe