CID 2761142

849924-99-8

Structural Information

Molecular Formula
C11H17N3O2
SMILES
COC1=CC(=NC(=N1)C2CCNCC2)OC
InChI
InChI=1S/C11H17N3O2/c1-15-9-7-10(16-2)14-11(13-9)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3
InChIKey
KLBDSBXBSWXRQE-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-2-piperidin-4-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.1
[M+Na]+ 246.12130 158.2
[M-H]- 222.12480 152.7
[M+NH4]+ 241.16590 165.3
[M+K]+ 262.09524 155.2
[M+H-H2O]+ 206.12934 142.7
[M+HCOO]- 268.13028 167.9
[M+CH3COO]- 282.14593 186.0
[M+Na-2H]- 244.10675 156.7
[M]+ 223.13153 149.0
[M]- 223.13263 149.0
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