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
5
Annotation Hits

0
References

196
Patents

192.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.6
[M+Na]+ 215.06786 147.6
[M-H]- 191.07136 142.7
[M+NH4]+ 210.11246 158.7
[M+K]+ 231.04180 145.7
[M+H-H2O]+ 175.07590 132.8
[M+HCOO]- 237.07684 163.7
[M+CH3COO]- 251.09249 183.3
[M+Na-2H]- 213.05331 144.5
[M]+ 192.07809 142.9
[M]- 192.07919 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