CID 106941

Dtxsid20887012

Structural Information

Molecular Formula
C14H18O2
SMILES
CCC(C)C(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C14H18O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h4-10,12H,3,11H2,1-2H3
InChIKey
OQFRRXKRZQFDEI-UHFFFAOYSA-N
Compound name
3-phenylprop-2-enyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 152.1
[M+Na]+ 241.11990 163.6
[M+NH4]+ 236.16450 159.6
[M+K]+ 257.09384 156.8
[M-H]- 217.12340 153.5
[M+Na-2H]- 239.10535 157.7
[M]+ 218.13013 154.0
[M]- 218.13123 154.0
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.