CID 1482752

3-(4-ethylphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
CCC1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)
InChIKey
GOIIVCHICYNWSG-UHFFFAOYSA-N
Compound name
3-(4-ethylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

176.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 137.3
[M+Na]+ 199.072938 144.8
[M-H]- 175.076444 139.7
[M+NH4]+ 194.117543 157.0
[M+K]+ 215.046878 141.8
[M+H-H2O]+ 159.080980 131.9
[M+HCOO]- 221.081921 159.6
[M+CH3COO]- 235.097571 178.3
[M+Na-2H]- 197.058386 142.1
[M]+ 176.08317142 137.3
[M]- 176.08426858 137.3
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

patents stripe