CID 58772865

2-(2-ethynylphenyl)acetic acid

Structural Information

Molecular Formula
C10H8O2
SMILES
C#CC1=CC=CC=C1CC(=O)O
InChI
InChI=1S/C10H8O2/c1-2-8-5-3-4-6-9(8)7-10(11)12/h1,3-6H,7H2,(H,11,12)
InChIKey
FSBGQUFYQODLLW-UHFFFAOYSA-N
Compound name
2-(2-ethynylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

160.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 133.2
[M+Na]+ 183.04165 145.4
[M+NH4]+ 178.08625 137.7
[M+K]+ 199.01559 136.7
[M-H]- 159.04515 126.6
[M+Na-2H]- 181.02710 136.6
[M]+ 160.05188 132.2
[M]- 160.05298 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe