CID 129950140

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

Structural Information

Molecular Formula
C11H18BrF2NO2
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)CBr
InChI
InChI=1S/C11H18BrF2NO2/c1-10(2,3)17-9(16)15-5-4-8(6-12)11(13,14)7-15/h8H,4-7H2,1-3H3
InChIKey
AAMRYYQQMYOAST-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethyl)-3,3-difluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

313.0489 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05618 163.6
[M+Na]+ 336.03812 173.7
[M-H]- 312.04162 165.7
[M+NH4]+ 331.08272 183.0
[M+K]+ 352.01206 163.4
[M+H-H2O]+ 296.04616 162.8
[M+HCOO]- 358.04710 175.9
[M+CH3COO]- 372.06275 200.0
[M+Na-2H]- 334.02357 167.1
[M]+ 313.04835 178.9
[M]- 313.04945 178.9
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