CID 1537569

Methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H15FN2O2
SMILES
COC(=O)N1CCN(CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKey
KWVIJGFYBHCKOB-UHFFFAOYSA-N
Compound name
methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.11176 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11904 153.1
[M+Na]+ 261.10098 159.5
[M-H]- 237.10448 155.2
[M+NH4]+ 256.14558 167.8
[M+K]+ 277.07492 156.9
[M+H-H2O]+ 221.10902 143.4
[M+HCOO]- 283.10996 169.8
[M+CH3COO]- 297.12561 190.1
[M+Na-2H]- 259.08643 156.0
[M]+ 238.11121 149.3
[M]- 238.11231 149.3
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

patents stripe