CID 3089200

4-(prop-2-yn-1-yloxy)benzoic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C#CCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H8O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h1,3-6H,7H2,(H,11,12)
InChIKey
HRFYYZJGIFWLQF-UHFFFAOYSA-N
Compound name
4-prop-2-ynoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

176.04735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 136.0
[M+Na]+ 199.03657 147.7
[M+NH4]+ 194.08117 139.9
[M+K]+ 215.01051 139.4
[M-H]- 175.04007 128.8
[M+Na-2H]- 197.02202 138.9
[M]+ 176.04680 134.7
[M]- 176.04790 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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