CID 61523

5-phenylpentan-1-ol

Structural Information

Molecular Formula
C11H16O
SMILES
C1=CC=C(C=C1)CCCCCO
InChI
InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
DPZMVZIQRMVBBW-UHFFFAOYSA-N
Compound name
5-phenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

4109
Patents

164.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.9
[M+Na]+ 187.10934 143.1
[M-H]- 163.11284 138.7
[M+NH4]+ 182.15394 156.9
[M+K]+ 203.08328 140.3
[M+H-H2O]+ 147.11738 131.2
[M+HCOO]- 209.11832 159.6
[M+CH3COO]- 223.13397 176.8
[M+Na-2H]- 185.09479 143.6
[M]+ 164.11957 137.1
[M]- 164.12067 137.1
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