CID 71629627

Tert-butyl 4-bromo-4-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C11H20BrNO2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8H2,1-4H3
InChIKey
CUQSGHQYNWLZIT-UHFFFAOYSA-N
Compound name
tert-butyl 4-bromo-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.06775 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 156.3
[M+Na]+ 300.05697 165.5
[M-H]- 276.06047 160.7
[M+NH4]+ 295.10157 177.0
[M+K]+ 316.03091 156.1
[M+H-H2O]+ 260.06501 157.3
[M+HCOO]- 322.06595 170.7
[M+CH3COO]- 336.08160 193.9
[M+Na-2H]- 298.04242 161.8
[M]+ 277.06720 173.6
[M]- 277.06830 173.6
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