CID 28398402

1019395-99-3

Structural Information

Molecular Formula
C11H10O3
SMILES
C#CCOC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C11H10O3/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h1,3-6H,7-8H2,(H,12,13)
InChIKey
WEKJGCLHNXXCON-UHFFFAOYSA-N
Compound name
2-(4-prop-2-ynoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 141.4
[M+Na]+ 213.052208 151.1
[M-H]- 189.055714 142.4
[M+NH4]+ 208.096813 158.2
[M+K]+ 229.026148 147.3
[M+H-H2O]+ 173.060250 129.8
[M+HCOO]- 235.061191 158.1
[M+CH3COO]- 249.076841 188.5
[M+Na-2H]- 211.037656 145.2
[M]+ 190.06244142 137.3
[M]- 190.06353858 137.3
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