CID 736304

101366-61-4

Structural Information

Molecular Formula
C10H12O4
SMILES
C1=CC(=CC=C1CO)OCCC(=O)O
InChI
InChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChIKey
WPWKJUVXEMKOHS-UHFFFAOYSA-N
Compound name
3-[4-(hydroxymethyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

196.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.3
[M+Na]+ 219.06278 152.2
[M+NH4]+ 214.10738 148.0
[M+K]+ 235.03672 147.5
[M-H]- 195.06628 141.2
[M+Na-2H]- 217.04823 146.1
[M]+ 196.07301 142.5
[M]- 196.07411 142.5
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