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

33
Patents

250.14928 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.156556 156.6
[M+Na]+ 273.138498 162.8
[M-H]- 249.142004 155.3
[M+NH4]+ 268.183103 174.3
[M+K]+ 289.112438 161.4
[M+H-H2O]+ 233.146540 149.6
[M+HCOO]- 295.147481 171.2
[M+CH3COO]- 309.163131 195.1
[M+Na-2H]- 271.123946 158.4
[M]+ 250.14873142 151.2
[M]- 250.14982858 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