CID 20831812

Isoeugenyl formate

Structural Information

Molecular Formula
C11H12O3
SMILES
C/C=C\C1=CC(=C(C=C1)OC=O)OC
InChI
InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3/b4-3-
InChIKey
QUUXIMKMPYPPDM-ARJAWSKDSA-N
Compound name
[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] formate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

217
Patents

192.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.6
[M+Na]+ 215.067858 147.6
[M-H]- 191.071364 142.7
[M+NH4]+ 210.112463 158.7
[M+K]+ 231.041798 145.7
[M+H-H2O]+ 175.075900 132.8
[M+HCOO]- 237.076841 163.7
[M+CH3COO]- 251.092491 183.3
[M+Na-2H]- 213.053306 144.5
[M]+ 192.07809142 142.9
[M]- 192.07918858 142.9
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