CID 64834243

1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

Structural Information

Molecular Formula
C13H19FN2
SMILES
CC1(CN(CCN1)CC2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H19FN2/c1-13(2)10-16(8-7-15-13)9-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKey
CFXKHJHZLHEBFN-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.15323 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16051 152.2
[M+Na]+ 245.14245 158.8
[M-H]- 221.14595 153.0
[M+NH4]+ 240.18705 169.1
[M+K]+ 261.11639 154.3
[M+H-H2O]+ 205.15049 143.3
[M+HCOO]- 267.15143 167.5
[M+CH3COO]- 281.16708 187.2
[M+Na-2H]- 243.12790 156.3
[M]+ 222.15268 145.8
[M]- 222.15378 145.8
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

patents stripe