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]+ 275.16418 163.5
[M+Na]+ 297.14612 171.1
[M-H]- 273.14962 166.0
[M+NH4]+ 292.19072 179.9
[M+K]+ 313.12006 167.3
[M+H-H2O]+ 257.15416 157.7
[M+HCOO]- 319.15510 183.1
[M+CH3COO]- 333.17075 202.2
[M+Na-2H]- 295.13157 162.0
[M]+ 274.15635 166.9
[M]- 274.15745 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.