CID 6450434

Alpha-methylcinnamyl acetate

Structural Information

Molecular Formula
C12H14O2
SMILES
C/C(=C\C1=CC=CC=C1)/COC(=O)C
InChI
InChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+
InChIKey
BWYPZPVVNMYMKA-CSKARUKUSA-N
Compound name
[(E)-2-methyl-3-phenylprop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.5
[M+Na]+ 213.08860 148.9
[M-H]- 189.09210 145.8
[M+NH4]+ 208.13320 162.0
[M+K]+ 229.06254 147.0
[M+H-H2O]+ 173.09664 136.5
[M+HCOO]- 235.09758 165.0
[M+CH3COO]- 249.11323 183.0
[M+Na-2H]- 211.07405 146.7
[M]+ 190.09883 143.6
[M]- 190.09993 143.6
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