CID 131050813

1936537-39-1

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC1=C(CN(CC1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C11H18BrNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h5-7H2,1-4H3
InChIKey
PNJNXTCCWTXQLY-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-4-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 154.3
[M+Na]+ 298.04132 155.8
[M+NH4]+ 293.08592 157.9
[M+K]+ 314.01526 157.1
[M-H]- 274.04482 153.1
[M+Na-2H]- 296.02677 155.3
[M]+ 275.05155 152.9
[M]- 275.05265 152.9
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

No patent data available for this compound.