CID 167739172

En300-28230330

Structural Information

Molecular Formula
C12H20BrNO2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2CBr
InChI
InChI=1S/C12H20BrNO2/c1-12(2,3)16-11(15)14-7-9-5-10(14)4-8(9)6-13/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChIKey
XOPLNGPCBYYTLQ-LPEHRKFASA-N
Compound name
tert-butyl (1S,4R,5R)-5-(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 170.4
[M+Na]+ 312.05697 180.8
[M-H]- 288.06047 174.6
[M+NH4]+ 307.10157 193.9
[M+K]+ 328.03091 171.0
[M+H-H2O]+ 272.06501 171.7
[M+HCOO]- 334.06595 185.4
[M+CH3COO]- 348.08160 197.2
[M+Na-2H]- 310.04242 172.2
[M]+ 289.06720 189.6
[M]- 289.06830 189.6
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.