CID 155943717

2613388-52-4

Structural Information

Molecular Formula
C12H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1C2)CBr
InChI
InChI=1S/C12H20BrNO2/c1-11(2,3)16-10(15)14-8-12(7-13)5-4-9(14)6-12/h9H,4-8H2,1-3H3
InChIKey
ZIQWAGYVJODYED-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06775 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07503 168.6
[M+Na]+ 312.05697 179.1
[M-H]- 288.06047 172.8
[M+NH4]+ 307.10157 193.8
[M+K]+ 328.03091 169.4
[M+H-H2O]+ 272.06501 170.5
[M+HCOO]- 334.06595 183.7
[M+CH3COO]- 348.08160 195.7
[M+Na-2H]- 310.04242 172.4
[M]+ 289.06720 187.9
[M]- 289.06830 187.9
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.