CID 3062443

Ethyl 4-(5-hydroxypentyl)benzoate

Structural Information

Molecular Formula
C14H20O3
SMILES
CCOC(=O)C1=CC=C(C=C1)CCCCCO
InChI
InChI=1S/C14H20O3/c1-2-17-14(16)13-9-7-12(8-10-13)6-4-3-5-11-15/h7-10,15H,2-6,11H2,1H3
InChIKey
BHNYRBDQHGCVNT-UHFFFAOYSA-N
Compound name
ethyl 4-(5-hydroxypentyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 155.9
[M+Na]+ 259.13047 167.0
[M+NH4]+ 254.17507 162.8
[M+K]+ 275.10441 160.5
[M-H]- 235.13397 156.7
[M+Na-2H]- 257.11592 160.7
[M]+ 236.14070 157.5
[M]- 236.14180 157.5
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.