CID 6438317

32580-69-1

Structural Information

Molecular Formula
C14H18O2
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C14H18O2/c1-4-16-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3/b10-7+
InChIKey
XCRHYAQWBYDRGV-JXMROGBWSA-N
Compound name
ethyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1267
Patents

218.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 150.8
[M+Na]+ 241.119898 157.3
[M-H]- 217.123404 154.2
[M+NH4]+ 236.164503 169.6
[M+K]+ 257.093838 155.0
[M+H-H2O]+ 201.127940 144.7
[M+HCOO]- 263.128881 172.7
[M+CH3COO]- 277.144531 190.2
[M+Na-2H]- 239.105346 153.3
[M]+ 218.13013142 153.1
[M]- 218.13122858 153.1
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