CID 57818

100347-77-1

Structural Information

Molecular Formula
C18H26O4
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCCO
InChI
InChI=1S/C18H26O4/c1-4-7-14-12-16(18(20)22-11-9-19)13-15(8-5-2)17(14)21-10-6-3/h6,12-13,19H,3-5,7-11H2,1-2H3
InChIKey
ONSRRKMXWGNSJK-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 4-prop-2-enoxy-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1831 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19038 174.2
[M+Na]+ 329.17232 180.3
[M-H]- 305.17582 175.9
[M+NH4]+ 324.21692 189.0
[M+K]+ 345.14626 176.9
[M+H-H2O]+ 289.18036 167.4
[M+HCOO]- 351.18130 194.5
[M+CH3COO]- 365.19695 205.9
[M+Na-2H]- 327.15777 174.0
[M]+ 306.18255 180.4
[M]- 306.18365 180.4
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