CID 70254928

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

Structural Information

Molecular Formula
C11H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CF)N
InChI
InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,13H2,1-3H3
InChIKey
VWTGVCLPGCNHRW-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-(fluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.1587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16598 154.4
[M+Na]+ 255.14792 159.6
[M-H]- 231.15142 154.2
[M+NH4]+ 250.19252 172.6
[M+K]+ 271.12186 158.7
[M+H-H2O]+ 215.15596 148.1
[M+HCOO]- 277.15690 170.1
[M+CH3COO]- 291.17255 191.1
[M+Na-2H]- 253.13337 157.5
[M]+ 232.15815 149.9
[M]- 232.15925 149.9
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