CID 3027507

2-(2-hydroxyethoxy)benzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
C1=CC=C(C(=C1)C(=O)O)OCCO
InChI
InChI=1S/C9H10O4/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey
ZRPKEUVFESZUKX-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1667
Patents

182.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.9
[M+Na]+ 205.04712 143.2
[M-H]- 181.05062 137.1
[M+NH4]+ 200.09172 154.4
[M+K]+ 221.02106 141.5
[M+H-H2O]+ 165.05516 130.5
[M+HCOO]- 227.05610 157.6
[M+CH3COO]- 241.07175 175.4
[M+Na-2H]- 203.03257 141.2
[M]+ 182.05735 136.9
[M]- 182.05845 136.9
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