CID 11829757

1-phenylpent-4-en-2-ol

Structural Information

Molecular Formula
C11H14O
SMILES
C=CCC(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2
InChIKey
YQNUFNXWLWCHSH-UHFFFAOYSA-N
Compound name
1-phenylpent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

162.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 136.0
[M+Na]+ 185.09368 142.2
[M-H]- 161.09718 138.0
[M+NH4]+ 180.13828 156.0
[M+K]+ 201.06762 139.3
[M+H-H2O]+ 145.10172 130.5
[M+HCOO]- 207.10266 157.9
[M+CH3COO]- 221.11831 176.7
[M+Na-2H]- 183.07913 141.5
[M]+ 162.10391 134.9
[M]- 162.10501 134.9
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