CID 3021965

Methyl 3,5-diallylsalicylate

Structural Information

Molecular Formula
C14H16O3
SMILES
COC(=O)C1=CC(=CC(=C1O)CC=C)CC=C
InChI
InChI=1S/C14H16O3/c1-4-6-10-8-11(7-5-2)13(15)12(9-10)14(16)17-3/h4-5,8-9,15H,1-2,6-7H2,3H3
InChIKey
IMRNLNZFQISVPP-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3,5-bis(prop-2-enyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10994 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 153.4
[M+Na]+ 255.09916 165.4
[M+NH4]+ 250.14376 159.8
[M+K]+ 271.07310 159.1
[M-H]- 231.10266 153.8
[M+Na-2H]- 253.08461 157.6
[M]+ 232.10939 155.0
[M]- 232.11049 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.