CID 636750

Gamma-asarone

Structural Information

Molecular Formula
C12H16O3
SMILES
COC1=CC(=C(C=C1CC=C)OC)OC
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
InChIKey
AUNAUZZQBAIQFJ-UHFFFAOYSA-N
Compound name
1,2,4-trimethoxy-5-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

312
References

253
Patents

208.10994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.7
[M+Na]+ 231.09916 152.9
[M-H]- 207.10266 148.0
[M+NH4]+ 226.14376 163.5
[M+K]+ 247.07310 151.4
[M+H-H2O]+ 191.10720 137.9
[M+HCOO]- 253.10814 168.3
[M+CH3COO]- 267.12379 189.1
[M+Na-2H]- 229.08461 148.5
[M]+ 208.10939 149.6
[M]- 208.11049 149.6
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