CID 177798265

2-(3-amino-5-ethynylphenoxy)acetic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C#CC1=CC(=CC(=C1)OCC(=O)O)N
InChI
InChI=1S/C10H9NO3/c1-2-7-3-8(11)5-9(4-7)14-6-10(12)13/h1,3-5H,6,11H2,(H,12,13)
InChIKey
LTXJIJQTOFGRDE-UHFFFAOYSA-N
Compound name
2-(3-amino-5-ethynylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 142.9
[M+Na]+ 214.047458 152.7
[M-H]- 190.050964 143.7
[M+NH4]+ 209.092063 159.2
[M+K]+ 230.021398 149.2
[M+H-H2O]+ 174.055500 131.2
[M+HCOO]- 236.056441 160.1
[M+CH3COO]- 250.072091 190.8
[M+Na-2H]- 212.032906 145.5
[M]+ 191.05769142 137.1
[M]- 191.05878858 137.1
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

No patent data available for this compound.