CID 3078703

Methyl 4-amino-2-(1-piperidinyl)-5-pyrimidinecarboxylate hydrochloride

Structural Information

Molecular Formula
C11H16N4O2
SMILES
COC(=O)C1=CN=C(N=C1N)N2CCCCC2
InChI
InChI=1S/C11H16N4O2/c1-17-10(16)8-7-13-11(14-9(8)12)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKey
VCOKPEPUPHPRQG-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

236.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 154.8
[M+Na]+ 259.11654 160.6
[M-H]- 235.12004 156.4
[M+NH4]+ 254.16114 167.5
[M+K]+ 275.09048 157.9
[M+H-H2O]+ 219.12458 145.0
[M+HCOO]- 281.12552 171.8
[M+CH3COO]- 295.14117 192.4
[M+Na-2H]- 257.10199 158.3
[M]+ 236.12677 150.5
[M]- 236.12787 150.5
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

patents stripe