CID 132398604

Rac-(3r,4r)-n3-(pyrimidin-4-yl)oxane-3,4-diamine dihydrochloride

Structural Information

Molecular Formula
C9H14N4O
SMILES
C1COC[C@@H]([C@@H]1N)NC2=NC=NC=C2
InChI
InChI=1S/C9H14N4O/c10-7-2-4-14-5-8(7)13-9-1-3-11-6-12-9/h1,3,6-8H,2,4-5,10H2,(H,11,12,13)/t7-,8+/m1/s1
InChIKey
HCNHXFFZVPIPFL-SFYZADRCSA-N
Compound name
(3R,4R)-3-N-pyrimidin-4-yloxane-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 142.4
[M+Na]+ 217.105978 147.5
[M-H]- 193.109484 145.9
[M+NH4]+ 212.150583 156.5
[M+K]+ 233.079918 145.9
[M+H-H2O]+ 177.114020 133.3
[M+HCOO]- 239.114961 162.3
[M+CH3COO]- 253.130611 153.6
[M+Na-2H]- 215.091426 150.0
[M]+ 194.11621142 136.5
[M]- 194.11730858 136.5
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.