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]+ 238.154996 154.3
[M+Na]+ 260.136938 162.1
[M-H]- 236.140444 157.9
[M+NH4]+ 255.181543 169.1
[M+K]+ 276.110878 158.3
[M+H-H2O]+ 220.144980 145.7
[M+HCOO]- 282.145921 173.5
[M+CH3COO]- 296.161571 194.1
[M+Na-2H]- 258.122386 156.8
[M]+ 237.14717142 150.7
[M]- 237.14826858 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