CID 6485562

4-(2-methoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H12O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
YBICPDGCVIUHNA-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.9
[M+Na]+ 219.062778 147.2
[M-H]- 195.066284 142.3
[M+NH4]+ 214.107383 158.6
[M+K]+ 235.036718 146.2
[M+H-H2O]+ 179.070820 134.0
[M+HCOO]- 241.071761 162.8
[M+CH3COO]- 255.087411 180.9
[M+Na-2H]- 217.048226 145.2
[M]+ 196.07301142 143.2
[M]- 196.07410858 143.2
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