CID 16748926

5-[(1s,4s)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-ol dihydrochloride

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1[C@H]2CN[C@@H]1CN2C3=CC(=CN=C3)O
InChI
InChI=1S/C10H13N3O/c14-10-2-9(3-11-5-10)13-6-7-1-8(13)4-12-7/h2-3,5,7-8,12,14H,1,4,6H2/t7-,8-/m0/s1
InChIKey
FQXZEMJVGYXBEY-YUMQZZPRSA-N
Compound name
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 141.8
[M+Na]+ 214.09509 149.7
[M-H]- 190.09859 141.6
[M+NH4]+ 209.13969 161.2
[M+K]+ 230.06903 145.7
[M+H-H2O]+ 174.10313 134.5
[M+HCOO]- 236.10407 157.8
[M+CH3COO]- 250.11972 153.3
[M+Na-2H]- 212.08054 144.9
[M]+ 191.10532 137.9
[M]- 191.10642 137.9
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