CID 146155414

2416243-47-3

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC1=C(CCN(C1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C11H18BrNO2/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4/h5-7H2,1-4H3
InChIKey
KNMBZCCAGBHPAY-UHFFFAOYSA-N
Compound name
tert-butyl 4-bromo-5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 155.9
[M+Na]+ 298.04132 166.1
[M-H]- 274.04482 160.7
[M+NH4]+ 293.08592 175.2
[M+K]+ 314.01526 156.2
[M+H-H2O]+ 258.04936 155.9
[M+HCOO]- 320.05030 171.6
[M+CH3COO]- 334.06595 195.0
[M+Na-2H]- 296.02677 160.4
[M]+ 275.05155 174.4
[M]- 275.05265 174.4
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

No patent data available for this compound.