CID 58173

Brn 2654962

Structural Information

Molecular Formula
C17H22O3
SMILES
CC1=C(C(=C(C=C1CC=C)C(C)C)O)C(=O)OCC=C
InChI
InChI=1S/C17H22O3/c1-6-8-13-10-14(11(3)4)16(18)15(12(13)5)17(19)20-9-7-2/h6-7,10-11,18H,1-2,8-9H2,3-5H3
InChIKey
DRJPJBHLGKEDDU-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1569 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.164176 163.5
[M+Na]+ 297.146118 171.1
[M-H]- 273.149624 166.0
[M+NH4]+ 292.190723 179.9
[M+K]+ 313.120058 167.3
[M+H-H2O]+ 257.154160 157.7
[M+HCOO]- 319.155101 183.1
[M+CH3COO]- 333.170751 202.2
[M+Na-2H]- 295.131566 162.0
[M]+ 274.15635142 166.9
[M]- 274.15744858 166.9
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.