CID 56932105

Tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H18F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)N
InChI
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChIKey
APZOOTJWPGQYSZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

236.13364 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14092 152.0
[M+Na]+ 259.12286 158.7
[M-H]- 235.12636 151.0
[M+NH4]+ 254.16746 170.3
[M+K]+ 275.09680 157.6
[M+H-H2O]+ 219.13090 145.3
[M+HCOO]- 281.13184 167.0
[M+CH3COO]- 295.14749 192.0
[M+Na-2H]- 257.10831 154.4
[M]+ 236.13309 146.4
[M]- 236.13419 146.4
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