CID 85462

Methoxyethyl phthalate

Structural Information

Molecular Formula
C11H12O5
SMILES
COCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H12O5/c1-15-6-7-16-11(14)9-5-3-2-4-8(9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
NGFWAKGWMSOVMP-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxycarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

186
Patents

224.06847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 146.2
[M+Na]+ 247.05769 153.1
[M-H]- 223.06119 148.5
[M+NH4]+ 242.10229 163.5
[M+K]+ 263.03163 152.3
[M+H-H2O]+ 207.06573 140.0
[M+HCOO]- 269.06667 168.1
[M+CH3COO]- 283.08232 185.5
[M+Na-2H]- 245.04314 149.8
[M]+ 224.06792 149.8
[M]- 224.06902 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe