CID 22404535

Schembl14672551

Structural Information

Molecular Formula
C14H18O6
SMILES
CCOCCOCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C14H18O6/c1-2-18-7-8-19-9-10-20-14(17)12-6-4-3-5-11(12)13(15)16/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKey
VMQFGCCQDGFHFZ-UHFFFAOYSA-N
Compound name
2-[2-(2-ethoxyethoxy)ethoxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

282.11035 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.117626 162.7
[M+Na]+ 305.099568 168.0
[M-H]- 281.103074 164.4
[M+NH4]+ 300.144173 177.5
[M+K]+ 321.073508 167.2
[M+H-H2O]+ 265.107610 155.6
[M+HCOO]- 327.108551 183.8
[M+CH3COO]- 341.124201 196.6
[M+Na-2H]- 303.085016 164.8
[M]+ 282.10980142 168.8
[M]- 282.11089858 168.8
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