CID 91746961

Feniculin

Structural Information

Molecular Formula
C14H18O
SMILES
C/C=C\C1=CC=C(C=C1)OCC=C(C)C
InChI
InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-
InChIKey
JGELFJUQMIUNOO-PLNGDYQASA-N
Compound name
1-(3-methylbut-2-enoxy)-4-[(Z)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

202.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 148.5
[M+Na]+ 225.12499 161.3
[M+NH4]+ 220.16959 156.8
[M+K]+ 241.09893 153.3
[M-H]- 201.12849 150.7
[M+Na-2H]- 223.11044 154.8
[M]+ 202.13522 150.9
[M]- 202.13632 150.9
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