CID 67373260

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

236.13364 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.140916 152.0
[M+Na]+ 259.122858 158.7
[M-H]- 235.126364 151.0
[M+NH4]+ 254.167463 170.3
[M+K]+ 275.096798 157.6
[M+H-H2O]+ 219.130900 145.3
[M+HCOO]- 281.131841 167.0
[M+CH3COO]- 295.147491 192.0
[M+Na-2H]- 257.108306 154.4
[M]+ 236.13309142 146.4
[M]- 236.13418858 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