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]+ 219.101576 147.9
[M+Na]+ 241.083518 154.2
[M-H]- 217.087024 153.2
[M+NH4]+ 236.128123 167.1
[M+K]+ 257.057458 151.6
[M+H-H2O]+ 201.091560 141.5
[M+HCOO]- 263.092501 170.4
[M+CH3COO]- 277.108151 183.9
[M+Na-2H]- 239.068966 150.7
[M]+ 218.09375142 147.5
[M]- 218.09484858 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.