CID 77207

2-hydroxyethyl methyl terephthalate

Structural Information

Molecular Formula
C11H12O5
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OCCO
InChI
InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
InChIKey
DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Compound name
4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

445
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 147.6
[M+Na]+ 247.05769 158.0
[M+NH4]+ 242.10229 153.4
[M+K]+ 263.03163 154.1
[M-H]- 223.06119 146.9
[M+Na-2H]- 245.04314 151.7
[M]+ 224.06792 148.5
[M]- 224.06902 148.5
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