CID 228752

2-(2-butoxyethoxy)ethyl benzoate

Structural Information

Molecular Formula
C15H22O4
SMILES
CCCCOCCOCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H22O4/c1-2-3-9-17-10-11-18-12-13-19-15(16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKey
VZEMMDRNJASTTN-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

266.1518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 163.7
[M+Na]+ 289.141018 168.3
[M-H]- 265.144524 166.1
[M+NH4]+ 284.185623 179.9
[M+K]+ 305.114958 167.0
[M+H-H2O]+ 249.149060 156.2
[M+HCOO]- 311.150001 186.3
[M+CH3COO]- 325.165651 196.7
[M+Na-2H]- 287.126466 167.3
[M]+ 266.15125142 170.1
[M]- 266.15234858 170.1
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

patents stripe