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 151.1
[M+Na]+ 274.08498 159.2
[M-H]- 250.08848 157.5
[M+NH4]+ 269.12958 164.8
[M+K]+ 290.05892 157.3
[M+H-H2O]+ 234.09302 144.5
[M+HCOO]- 296.09396 172.6
[M+CH3COO]- 310.10961 199.1
[M+Na-2H]- 272.07043 154.6
[M]+ 251.09521 153.7
[M]- 251.09631 153.7
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.