CID 137944857

Tert-butyl (3e)-3-(bromomethylidene)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC/C(=C\Br)/C1
InChI
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h7H,4-6,8H2,1-3H3/b9-7+
InChIKey
OWDCTRVGDDVPQZ-VQHVLOKHSA-N
Compound name
tert-butyl (3E)-3-(bromomethylidene)piperidine-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 157.5
[M+Na]+ 298.04132 166.2
[M-H]- 274.04482 161.6
[M+NH4]+ 293.08592 176.3
[M+K]+ 314.01526 155.9
[M+H-H2O]+ 258.04936 157.4
[M+HCOO]- 320.05030 172.0
[M+CH3COO]- 334.06595 192.8
[M+Na-2H]- 296.02677 161.6
[M]+ 275.05155 173.6
[M]- 275.05265 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

No patent data available for this compound.