CID 137699023

2138824-00-5

Structural Information

Molecular Formula
C12H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)/C=C/Br
InChI
InChI=1S/C12H20BrNO2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKey
SJDSFQOGWBCCFH-QPJJXVBHSA-N
Compound name
tert-butyl 4-[(E)-2-bromoethenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

289.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07503 162.0
[M+Na]+ 312.05697 170.4
[M-H]- 288.06047 166.0
[M+NH4]+ 307.10157 180.4
[M+K]+ 328.03091 159.8
[M+H-H2O]+ 272.06501 161.8
[M+HCOO]- 334.06595 176.2
[M+CH3COO]- 348.08160 195.7
[M+Na-2H]- 310.04242 165.6
[M]+ 289.06720 178.5
[M]- 289.06830 178.5
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