CID 147880215

Rac-(1r,4r,5r)-5-methyl-2-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
C[C@@H]1C[C@@H]2C[C@H]1CN2
InChI
InChI=1S/C7H13N/c1-5-2-7-3-6(5)4-8-7/h5-8H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey
IAHLNSNMWRARQE-DSYKOEDSSA-N
Compound name
(1R,4R,5R)-5-methyl-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 125.1
[M+Na]+ 134.09402 132.5
[M-H]- 110.09752 125.3
[M+NH4]+ 129.13862 151.2
[M+K]+ 150.06796 130.5
[M+H-H2O]+ 94.102060 120.5
[M+HCOO]- 156.10300 144.3
[M+CH3COO]- 170.11865 138.6
[M+Na-2H]- 132.07947 129.1
[M]+ 111.10425 121.2
[M]- 111.10535 121.2
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.