CID 84803186

Tert-butyl 4-(aminomethyl)-4-(fluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)CF
InChI
InChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-9,14H2,1-3H3
InChIKey
OIMAAPGABVJIDK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-4-(fluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17436 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18164 158.9
[M+Na]+ 269.16358 163.6
[M-H]- 245.16708 158.5
[M+NH4]+ 264.20818 176.5
[M+K]+ 285.13752 162.5
[M+H-H2O]+ 229.17162 152.4
[M+HCOO]- 291.17256 174.3
[M+CH3COO]- 305.18821 194.1
[M+Na-2H]- 267.14903 161.5
[M]+ 246.17381 154.8
[M]- 246.17491 154.8
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

No patent data available for this compound.