CID 348718

3-(3-methoxyphenyl)prop-2-ynoic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
COC1=CC=CC(=C1)C#CC(=O)O
InChI
InChI=1S/C10H8O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,1H3,(H,11,12)
InChIKey
DUFBXNPPDCQFCD-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.04735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 136.3
[M+Na]+ 199.03657 148.1
[M+NH4]+ 194.08117 140.2
[M+K]+ 215.01051 139.7
[M-H]- 175.04007 129.1
[M+Na-2H]- 197.02202 139.2
[M]+ 176.04680 135.0
[M]- 176.04790 135.0
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