CID 13423286

4-(3-hydroxypropoxy)benzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
C1=CC(=CC=C1C(=O)O)OCCCO
InChI
InChI=1S/C10H12O4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2,(H,12,13)
InChIKey
MYGMROGVZNOWMY-UHFFFAOYSA-N
Compound name
4-(3-hydroxypropoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.6
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.5
[M+NH4]+ 214.10738 158.5
[M+K]+ 235.03672 145.5
[M+H-H2O]+ 179.07082 134.9
[M+HCOO]- 241.07176 161.9
[M+CH3COO]- 255.08741 178.4
[M+Na-2H]- 217.04823 145.3
[M]+ 196.07301 141.9
[M]- 196.07411 141.9
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

No patent data available for this compound.