CID 28398402

2-[4-(prop-2-yn-1-yloxy)phenyl]aceticacid

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

12
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 141.4
[M+Na]+ 213.05221 151.1
[M-H]- 189.05571 142.4
[M+NH4]+ 208.09681 158.2
[M+K]+ 229.02615 147.3
[M+H-H2O]+ 173.06025 129.8
[M+HCOO]- 235.06119 158.1
[M+CH3COO]- 249.07684 188.5
[M+Na-2H]- 211.03766 145.2
[M]+ 190.06244 137.3
[M]- 190.06354 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