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
2
Annotation Hits

3
References

1679
Patents

178.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.070266 135.6
[M+Na]+ 201.052208 143.8
[M-H]- 177.055714 137.0
[M+NH4]+ 196.096813 154.6
[M+K]+ 217.026148 140.7
[M+H-H2O]+ 161.060250 130.6
[M+HCOO]- 223.061191 156.9
[M+CH3COO]- 237.076841 176.7
[M+Na-2H]- 199.037656 139.7
[M]+ 178.06244142 135.2
[M]- 178.06353858 135.2
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