CID 126980358

4-(pyrimidin-2-yl)oxan-4-amine

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1COCCC1(C2=NC=CC=N2)N
InChI
InChI=1S/C9H13N3O/c10-9(2-6-13-7-3-9)8-11-4-1-5-12-8/h1,4-5H,2-3,6-7,10H2
InChIKey
RPYYVAWUQWDJLA-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-yloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.0
[M+Na]+ 202.09509 151.3
[M+NH4]+ 197.13969 148.7
[M+K]+ 218.06903 143.5
[M-H]- 178.09859 143.8
[M+Na-2H]- 200.08054 148.2
[M]+ 179.10532 142.2
[M]- 179.10642 142.2
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.