CID 55846

Brn 4442919

Structural Information

Molecular Formula
C13H14O3
SMILES
C1CC(C=C1)C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C13H14O3/c14-13(15)9-16-12-7-5-11(6-8-12)10-3-1-2-4-10/h1,3,5-8,10H,2,4,9H2,(H,14,15)
InChIKey
NOFWTGTWDLFYGY-UHFFFAOYSA-N
Compound name
2-(4-cyclopent-2-en-1-ylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 147.9
[M+Na]+ 241.08352 154.2
[M-H]- 217.08702 153.2
[M+NH4]+ 236.12812 167.1
[M+K]+ 257.05746 151.6
[M+H-H2O]+ 201.09156 141.5
[M+HCOO]- 263.09250 170.4
[M+CH3COO]- 277.10815 183.9
[M+Na-2H]- 239.06897 150.7
[M]+ 218.09375 147.5
[M]- 218.09485 147.5
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.