CID 6436484

Isomyristicin

Structural Information

Molecular Formula
C11H12O3
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)OCO2
InChI
InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+
InChIKey
DHUZAAUGHUHIDS-ONEGZZNKSA-N
Compound name
4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4117
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 138.9
[M+Na]+ 215.06786 151.7
[M+NH4]+ 210.11246 147.6
[M+K]+ 231.04180 147.7
[M-H]- 191.07136 143.3
[M+Na-2H]- 213.05331 143.0
[M]+ 192.07809 142.0
[M]- 192.07919 142.0
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