CID 62095074

1457625-95-4

Structural Information

Molecular Formula
C13H14FNO3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2(CC2)C(=O)O
InChI
InChI=1S/C13H14FNO3/c1-15(8-9-2-4-10(14)5-3-9)11(16)13(6-7-13)12(17)18/h2-5H,6-8H2,1H3,(H,17,18)
InChIKey
YFDBWXDMSDDDET-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09576 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10304 158.8
[M+Na]+ 274.08498 169.3
[M+NH4]+ 269.12958 166.8
[M+K]+ 290.05892 164.7
[M-H]- 250.08848 166.4
[M+Na-2H]- 272.07043 167.5
[M]+ 251.09521 163.4
[M]- 251.09631 163.4
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.