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

6
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 141.8
[M+Na]+ 214.095088 149.7
[M-H]- 190.098594 141.6
[M+NH4]+ 209.139693 161.2
[M+K]+ 230.069028 145.7
[M+H-H2O]+ 174.103130 134.5
[M+HCOO]- 236.104071 157.8
[M+CH3COO]- 250.119721 153.3
[M+Na-2H]- 212.080536 144.9
[M]+ 191.10532142 137.9
[M]- 191.10641858 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