CID 55299119

Rac-(1r,2s,4s)-7-azabicyclo[2.2.1]heptan-2-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C[C@H]2[C@@H](C[C@@H]1N2)O
InChI
InChI=1S/C6H11NO/c8-6-3-4-1-2-5(6)7-4/h4-8H,1-3H2/t4-,5+,6-/m1/s1
InChIKey
XBZJFFHSLIVHCZ-NGJCXOISSA-N
Compound name
(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.9
[M+Na]+ 136.07328 131.2
[M-H]- 112.07678 122.8
[M+NH4]+ 131.11788 149.1
[M+K]+ 152.04722 129.1
[M+H-H2O]+ 96.081320 119.6
[M+HCOO]- 158.08226 142.2
[M+CH3COO]- 172.09791 137.0
[M+Na-2H]- 134.05873 128.1
[M]+ 113.08351 119.3
[M]- 113.08461 119.3
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