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]+ 114.091336 123.9
[M+Na]+ 136.073278 131.2
[M-H]- 112.076784 122.8
[M+NH4]+ 131.117883 149.1
[M+K]+ 152.047218 129.1
[M+H-H2O]+ 96.081320 119.6
[M+HCOO]- 158.082261 142.2
[M+CH3COO]- 172.097911 137.0
[M+Na-2H]- 134.058726 128.1
[M]+ 113.08351142 119.3
[M]- 113.08460858 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