CID 3041128

Uracil, 5-(aminomethyl)-1-cyclohexyl-3-methyl-, monohydrochloride

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CN1C(=O)C(=CN(C1=O)C2CCCCC2)CN
InChI
InChI=1S/C12H19N3O2/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-7,13H2,1H3
InChIKey
LYPLDEJFXKSORT-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 154.3
[M+Na]+ 260.13694 162.1
[M-H]- 236.14044 157.9
[M+NH4]+ 255.18154 169.1
[M+K]+ 276.11088 158.3
[M+H-H2O]+ 220.14498 145.7
[M+HCOO]- 282.14592 173.5
[M+CH3COO]- 296.16157 194.1
[M+Na-2H]- 258.12239 156.8
[M]+ 237.14717 150.7
[M]- 237.14827 150.7
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