CID 143761

2-phenyl-4-penten-2-ol

Structural Information

Molecular Formula
C11H14O
SMILES
CC(CC=C)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H14O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3
InChIKey
BELRNEPYFJNSPN-UHFFFAOYSA-N
Compound name
2-phenylpent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

162.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 135.6
[M+Na]+ 185.09368 142.5
[M-H]- 161.09718 137.8
[M+NH4]+ 180.13828 155.8
[M+K]+ 201.06762 139.6
[M+H-H2O]+ 145.10172 130.7
[M+HCOO]- 207.10266 156.9
[M+CH3COO]- 221.11831 176.2
[M+Na-2H]- 183.07913 143.0
[M]+ 162.10391 134.7
[M]- 162.10501 134.7
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