CID 10486875

Rac-(1r,4r,5r,6s)-2-azabicyclo[2.2.1]heptane-5,6-diol hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1[C@H]2CN[C@@H]1[C@H]([C@H]2O)O
InChI
InChI=1S/C6H11NO2/c8-5-3-1-4(6(5)9)7-2-3/h3-9H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKey
SXXKDKGXKJEHOM-OMMKOOBNSA-N
Compound name
(1S,4S,5S,6R)-2-azabicyclo[2.2.1]heptane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.1
[M+Na]+ 152.06820 134.8
[M-H]- 128.07170 125.0
[M+NH4]+ 147.11280 151.2
[M+K]+ 168.04214 132.1
[M+H-H2O]+ 112.07624 123.3
[M+HCOO]- 174.07718 144.0
[M+CH3COO]- 188.09283 163.8
[M+Na-2H]- 150.05365 130.3
[M]+ 129.07843 122.5
[M]- 129.07953 122.5
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.