CID 118773

5-phenylhex-4-en-2-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)CC=C(C)C1=CC=CC=C1
InChI
InChI=1S/C12H14O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKey
LZVVXQDWHWOTMR-UHFFFAOYSA-N
Compound name
5-phenylhex-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

174.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 138.8
[M+Na]+ 197.09368 145.2
[M-H]- 173.09718 142.2
[M+NH4]+ 192.13828 159.0
[M+K]+ 213.06762 142.8
[M+H-H2O]+ 157.10172 133.1
[M+HCOO]- 219.10266 161.1
[M+CH3COO]- 233.11831 181.7
[M+Na-2H]- 195.07913 143.1
[M]+ 174.10391 138.6
[M]- 174.10501 138.6
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

No patent data available for this compound.