CID 238511

3-phenyl-3-pentanol

Structural Information

Molecular Formula
C11H16O
SMILES
CCC(CC)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey
XXCPOPNECJIJIH-UHFFFAOYSA-N
Compound name
3-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

164.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 137.0
[M+Na]+ 187.10934 143.6
[M-H]- 163.11284 139.1
[M+NH4]+ 182.15394 157.2
[M+K]+ 203.08328 141.3
[M+H-H2O]+ 147.11738 132.0
[M+HCOO]- 209.11832 158.1
[M+CH3COO]- 223.13397 177.1
[M+Na-2H]- 185.09479 144.3
[M]+ 164.11957 136.8
[M]- 164.12067 136.8
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