CID 263850

1-phenylpentane-1,5-diol

Structural Information

Molecular Formula
C11H16O2
SMILES
C1=CC=C(C=C1)C(CCCCO)O
InChI
InChI=1S/C11H16O2/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
InChIKey
LURHGCQQNUAFLT-UHFFFAOYSA-N
Compound name
1-phenylpentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

180.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.3
[M+Na]+ 203.10426 146.7
[M-H]- 179.10776 141.7
[M+NH4]+ 198.14886 159.8
[M+K]+ 219.07820 143.9
[M+H-H2O]+ 163.11230 135.6
[M+HCOO]- 225.11324 161.6
[M+CH3COO]- 239.12889 177.0
[M+Na-2H]- 201.08971 146.1
[M]+ 180.11449 140.4
[M]- 180.11559 140.4
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