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]+ 209.139696 149.0
[M+Na]+ 231.121638 156.2
[M-H]- 207.125144 149.7
[M+NH4]+ 226.166243 162.6
[M+K]+ 247.095578 151.7
[M+H-H2O]+ 191.129680 140.1
[M+HCOO]- 253.130621 165.6
[M+CH3COO]- 267.146271 185.8
[M+Na-2H]- 229.107086 152.8
[M]+ 208.13187142 142.3
[M]- 208.13296858 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.