CID 261627

2-hydroxy-3-(prop-2-en-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
C=CCC1=C(C(=CC=C1)C(=O)O)O
InChI
InChI=1S/C10H10O3/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h2-3,5-6,11H,1,4H2,(H,12,13)
InChIKey
YJLDIJDRZWBPEK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-prop-2-enylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

925
Patents

178.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 137.1
[M+Na]+ 201.05221 148.9
[M+NH4]+ 196.09681 144.1
[M+K]+ 217.02615 143.8
[M-H]- 177.05571 137.4
[M+Na-2H]- 199.03766 142.1
[M]+ 178.06244 138.6
[M]- 178.06354 138.6
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