CID 5354280

Vanitrope

Structural Information

Molecular Formula
C11H14O2
SMILES
CCOC1=C(C=C(C=C1)/C=C/C)O
InChI
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
InChIKey
RADIRXJQODWKGQ-HWKANZROSA-N
Compound name
2-ethoxy-5-[(E)-prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

5451
Patents

178.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.8
[M+Na]+ 201.088598 146.2
[M-H]- 177.092104 140.4
[M+NH4]+ 196.133203 157.9
[M+K]+ 217.062538 143.4
[M+H-H2O]+ 161.096640 132.5
[M+HCOO]- 223.097581 160.9
[M+CH3COO]- 237.113231 179.5
[M+Na-2H]- 199.074046 143.1
[M]+ 178.09883142 139.5
[M]- 178.09992858 139.5
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