CID 14340

1135-23-5

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=C(C=CC(=C1)CCC(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKey
BOLQJTPHPSDZHR-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

1145
Patents

196.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.9
[M+Na]+ 219.06278 152.2
[M+NH4]+ 214.10738 147.6
[M+K]+ 235.03672 147.7
[M-H]- 195.06628 140.8
[M+Na-2H]- 217.04823 145.5
[M]+ 196.07301 142.2
[M]- 196.07411 142.2
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