CID 136666195

2094571-82-9

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=CC(=O)NC(=N1)N2CCCC(C2)N
InChI
InChI=1S/C10H16N4O/c1-7-5-9(15)13-10(12-7)14-4-2-3-8(11)6-14/h5,8H,2-4,6,11H2,1H3,(H,12,13,15)
InChIKey
KTMJHQMCXJOFOC-UHFFFAOYSA-N
Compound name
2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 149.0
[M+Na]+ 231.12164 156.2
[M-H]- 207.12514 149.7
[M+NH4]+ 226.16624 162.6
[M+K]+ 247.09558 151.7
[M+H-H2O]+ 191.12968 140.1
[M+HCOO]- 253.13062 165.6
[M+CH3COO]- 267.14627 185.8
[M+Na-2H]- 229.10709 152.8
[M]+ 208.13187 142.3
[M]- 208.13297 142.3
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.