CID 20785711

Tert-butyl 4-[4-(aminomethyl)-2-fluorophenyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H24FN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)14-5-4-12(11-18)10-13(14)17/h4-5,10H,6-9,11,18H2,1-3H3
InChIKey
RKPOSFCQCMOLPM-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(aminomethyl)-2-fluorophenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.18524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19252 175.2
[M+Na]+ 332.17446 184.3
[M+NH4]+ 327.21906 180.3
[M+K]+ 348.14840 179.6
[M-H]- 308.17796 175.4
[M+Na-2H]- 330.15991 179.0
[M]+ 309.18469 176.2
[M]- 309.18579 176.2
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