CID 67373803

Tert-butyl 3-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)CN)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-11(12,13)8(6-14)7-15/h8H,4-7,14H2,1-3H3
InChIKey
BGZSTQMQTTUBPO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

250.14928 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 156.6
[M+Na]+ 273.13850 162.8
[M-H]- 249.14200 155.3
[M+NH4]+ 268.18310 174.3
[M+K]+ 289.11244 161.4
[M+H-H2O]+ 233.14654 149.6
[M+HCOO]- 295.14748 171.2
[M+CH3COO]- 309.16313 195.1
[M+Na-2H]- 271.12395 158.4
[M]+ 250.14873 151.2
[M]- 250.14983 151.2
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