CID 135508651

68087-21-8

Structural Information

Molecular Formula
C10H17N3O
SMILES
CCN(CC)CC1=CC(=O)NC(=N1)C
InChI
InChI=1S/C10H17N3O/c1-4-13(5-2)7-9-6-10(14)12-8(3)11-9/h6H,4-5,7H2,1-3H3,(H,11,12,14)
InChIKey
ISJJUXPLURIOKP-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 144.1
[M+Na]+ 218.126378 152.2
[M-H]- 194.129884 145.3
[M+NH4]+ 213.170983 161.1
[M+K]+ 234.100318 150.0
[M+H-H2O]+ 178.134420 136.5
[M+HCOO]- 240.135361 166.2
[M+CH3COO]- 254.151011 188.9
[M+Na-2H]- 216.111826 149.5
[M]+ 195.13661142 145.6
[M]- 195.13770858 145.6
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