CID 17760167

2-hydroxy-4-(4-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
C1=CC(=CC=C1CCC(C(=O)O)O)O
InChI
InChI=1S/C10H12O4/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9,11-12H,3,6H2,(H,13,14)
InChIKey
NDXWYVRAUFPPEJ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

196.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 141.5
[M+Na]+ 219.062778 147.6
[M-H]- 195.066284 141.1
[M+NH4]+ 214.107383 158.6
[M+K]+ 235.036718 145.3
[M+H-H2O]+ 179.070820 136.1
[M+HCOO]- 241.071761 160.2
[M+CH3COO]- 255.087411 176.9
[M+Na-2H]- 217.048226 144.4
[M]+ 196.07301142 140.2
[M]- 196.07410858 140.2
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