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 138.6
[M+Na]+ 202.09509 144.5
[M-H]- 178.09859 142.1
[M+NH4]+ 197.13969 155.4
[M+K]+ 218.06903 143.5
[M+H-H2O]+ 162.10313 130.1
[M+HCOO]- 224.10407 157.4
[M+CH3COO]- 238.11972 150.4
[M+Na-2H]- 200.08054 147.5
[M]+ 179.10532 133.3
[M]- 179.10642 133.3
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.