CID 7127

Methyl eugenol

Structural Information

Molecular Formula
C11H14O2
SMILES
COC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChIKey
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

403
References

18185
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.7
[M+Na]+ 201.08860 145.4
[M-H]- 177.09210 140.7
[M+NH4]+ 196.13320 157.4
[M+K]+ 217.06254 143.6
[M+H-H2O]+ 161.09664 131.1
[M+HCOO]- 223.09758 161.3
[M+CH3COO]- 237.11323 182.8
[M+Na-2H]- 199.07405 142.6
[M]+ 178.09883 140.4
[M]- 178.09993 140.4
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