CID 16091585

Illiverin a

Structural Information

Molecular Formula
C15H20O2
SMILES
C/C=C/C1=CC(=C(C=C1)OCC=C(C)C)OC
InChI
InChI=1S/C15H20O2/c1-5-6-13-7-8-14(15(11-13)16-4)17-10-9-12(2)3/h5-9,11H,10H2,1-4H3/b6-5+
InChIKey
NHYBZTUZLKGJMD-AATRIKPKSA-N
Compound name
2-methoxy-1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.5
[M+Na]+ 255.13555 161.7
[M-H]- 231.13905 158.0
[M+NH4]+ 250.18015 173.1
[M+K]+ 271.10949 158.8
[M+H-H2O]+ 215.14359 148.3
[M+HCOO]- 277.14453 177.0
[M+CH3COO]- 291.16018 193.5
[M+Na-2H]- 253.12100 157.0
[M]+ 232.14578 158.1
[M]- 232.14688 158.1
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

No patent data available for this compound.