CID 22362239

Refchem:471968

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCC(CC)COC(=O)CCC1=CC(=C(C(=C1)C)O)C
InChI
InChI=1S/C19H30O3/c1-5-7-8-16(6-2)13-22-18(20)10-9-17-11-14(3)19(21)15(4)12-17/h11-12,16,21H,5-10,13H2,1-4H3
InChIKey
XAPHBNQURFZENX-UHFFFAOYSA-N
Compound name
2-ethylhexyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.21948 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 177.5
[M+Na]+ 329.20870 182.7
[M-H]- 305.21220 179.1
[M+NH4]+ 324.25330 192.4
[M+K]+ 345.18264 179.6
[M+H-H2O]+ 289.21674 170.8
[M+HCOO]- 351.21768 196.1
[M+CH3COO]- 365.23333 208.5
[M+Na-2H]- 327.19415 175.4
[M]+ 306.21893 182.7
[M]- 306.22003 182.7
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

patents stripe