CID 5319469

Gamma-methoxyisoeugenol

Structural Information

Molecular Formula
C11H14O3
SMILES
COC/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKey
SBENKNZHVXGNTP-ONEGZZNKSA-N
Compound name
2-methoxy-4-[(E)-3-methoxyprop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

194.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.9
[M+Na]+ 217.08352 149.2
[M-H]- 193.08702 143.5
[M+NH4]+ 212.12812 160.3
[M+K]+ 233.05746 147.0
[M+H-H2O]+ 177.09156 135.3
[M+HCOO]- 239.09250 164.3
[M+CH3COO]- 253.10815 181.5
[M+Na-2H]- 215.06897 146.3
[M]+ 194.09375 144.1
[M]- 194.09485 144.1
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