CID 71298764

886767-09-5

Structural Information

Molecular Formula
C15H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=CC=C2F
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-6-4-5-7-12(11)16/h4-7,13,17H,8-10H2,1-3H3
InChIKey
UKJBVZKYQVUUHE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-fluorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

280.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16598 167.5
[M+Na]+ 303.14792 172.6
[M-H]- 279.15142 168.1
[M+NH4]+ 298.19252 180.0
[M+K]+ 319.12186 169.0
[M+H-H2O]+ 263.15596 158.3
[M+HCOO]- 325.15690 180.0
[M+CH3COO]- 339.17255 196.3
[M+Na-2H]- 301.13337 169.2
[M]+ 280.15815 162.3
[M]- 280.15925 162.3
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