CID 53878552

5-phenylpent-2-en-1-ol

Structural Information

Molecular Formula
C11H14O
SMILES
C1=CC=C(C=C1)CCC=CCO
InChI
InChI=1S/C11H14O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,12H,5,9-10H2
InChIKey
SJQRNJJCRWREAV-UHFFFAOYSA-N
Compound name
5-phenylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

162.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 135.8
[M+Na]+ 185.093678 142.3
[M-H]- 161.097184 137.6
[M+NH4]+ 180.138283 155.9
[M+K]+ 201.067618 139.0
[M+H-H2O]+ 145.101720 130.2
[M+HCOO]- 207.102661 158.7
[M+CH3COO]- 221.118311 175.2
[M+Na-2H]- 183.079126 142.5
[M]+ 162.10391142 135.2
[M]- 162.10500858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe