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]+ 195.12404 142.4
[M+Na]+ 217.10598 147.5
[M-H]- 193.10948 145.9
[M+NH4]+ 212.15058 156.5
[M+K]+ 233.07992 145.9
[M+H-H2O]+ 177.11402 133.3
[M+HCOO]- 239.11496 162.3
[M+CH3COO]- 253.13061 153.6
[M+Na-2H]- 215.09143 150.0
[M]+ 194.11621 136.5
[M]- 194.11731 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.