CID 3083805

2-phenylpent-2-enal

Structural Information

Molecular Formula
C11H12O
SMILES
CCC=C(C=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-9H,2H2,1H3
InChIKey
YPAJRUMMODCONM-UHFFFAOYSA-N
Compound name
2-phenylpent-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1115
Patents

160.08882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 134.0
[M+Na]+ 183.07804 141.0
[M-H]- 159.08154 137.5
[M+NH4]+ 178.12264 154.8
[M+K]+ 199.05198 138.5
[M+H-H2O]+ 143.08608 128.4
[M+HCOO]- 205.08702 157.6
[M+CH3COO]- 219.10267 177.8
[M+Na-2H]- 181.06349 140.1
[M]+ 160.08827 134.0
[M]- 160.08937 134.0
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