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 176.1
[M+Na]+ 332.17446 181.3
[M-H]- 308.17796 177.7
[M+NH4]+ 327.21906 187.8
[M+K]+ 348.14840 177.9
[M+H-H2O]+ 292.18250 166.4
[M+HCOO]- 354.18344 190.2
[M+CH3COO]- 368.19909 207.5
[M+Na-2H]- 330.15991 176.5
[M]+ 309.18469 171.8
[M]- 309.18579 171.8
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