CID 15255467

Phenyl pent-4-enoate

Structural Information

Molecular Formula
C11H12O2
SMILES
C=CCCC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C11H12O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChIKey
IDAIRHGYBSBTJO-UHFFFAOYSA-N
Compound name
phenyl pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

176.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 137.4
[M+Na]+ 199.072938 144.4
[M-H]- 175.076444 140.8
[M+NH4]+ 194.117543 157.5
[M+K]+ 215.046878 142.3
[M+H-H2O]+ 159.080980 131.5
[M+HCOO]- 221.081921 161.3
[M+CH3COO]- 235.097571 179.8
[M+Na-2H]- 197.058386 143.4
[M]+ 176.08317142 138.9
[M]- 176.08426858 138.9
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