CID 757898

419560-24-0

Structural Information

Molecular Formula
C14H17FN2O
SMILES
C1CC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKey
FYCKRJKFEXRNGG-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

248.13249 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13977 159.9
[M+Na]+ 271.12171 167.2
[M-H]- 247.12521 165.3
[M+NH4]+ 266.16631 169.3
[M+K]+ 287.09565 162.7
[M+H-H2O]+ 231.12975 149.5
[M+HCOO]- 293.13069 176.5
[M+CH3COO]- 307.14634 169.8
[M+Na-2H]- 269.10716 161.8
[M]+ 248.13194 156.4
[M]- 248.13304 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.