CID 61202

1-phenyl-2-pentanol

Structural Information

Molecular Formula
C11H16O
SMILES
CCCC(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3
InChIKey
FCURFTSXOIATDW-UHFFFAOYSA-N
Compound name
1-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

778
Patents

164.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 137.4
[M+Na]+ 187.10934 143.3
[M-H]- 163.11284 139.3
[M+NH4]+ 182.15394 157.4
[M+K]+ 203.08328 141.0
[M+H-H2O]+ 147.11738 131.8
[M+HCOO]- 209.11832 159.1
[M+CH3COO]- 223.13397 177.6
[M+Na-2H]- 185.09479 142.9
[M]+ 164.11957 137.0
[M]- 164.12067 137.0
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