CID 165362786

Dtxsid201021203

Structural Information

Molecular Formula
C19H28O4
SMILES
CC(CCOC(=O)C=CC1=CC(=C(C=C1)O)OC)CC(C)(C)C
InChI
InChI=1S/C19H28O4/c1-14(13-19(2,3)4)10-11-23-18(21)9-7-15-6-8-16(20)17(12-15)22-5/h6-9,12,14,20H,10-11,13H2,1-5H3
InChIKey
GBNDSGGXMRTKOC-UHFFFAOYSA-N
Compound name
3,5,5-trimethylhexyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 179.2
[M+Na]+ 343.18798 184.3
[M-H]- 319.19148 180.9
[M+NH4]+ 338.23258 193.4
[M+K]+ 359.16192 181.7
[M+H-H2O]+ 303.19602 172.9
[M+HCOO]- 365.19696 196.7
[M+CH3COO]- 379.21261 207.6
[M+Na-2H]- 341.17343 178.9
[M]+ 320.19821 184.1
[M]- 320.19931 184.1
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.