CID 4276

Myristicin

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC(=CC2=C1OCO2)CC=C
InChI
InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChIKey
BNWJOHGLIBDBOB-UHFFFAOYSA-N
Compound name
4-methoxy-6-prop-2-enyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

188
References

2904
Patents

192.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.7
[M+Na]+ 215.06786 148.0
[M-H]- 191.07136 144.8
[M+NH4]+ 210.11246 158.9
[M+K]+ 231.04180 147.9
[M+H-H2O]+ 175.07590 133.9
[M+HCOO]- 237.07684 160.9
[M+CH3COO]- 251.09249 182.7
[M+Na-2H]- 213.05331 146.1
[M]+ 192.07809 143.1
[M]- 192.07919 143.1
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