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]+ 196.14444 144.1
[M+Na]+ 218.12638 152.2
[M-H]- 194.12988 145.3
[M+NH4]+ 213.17098 161.1
[M+K]+ 234.10032 150.0
[M+H-H2O]+ 178.13442 136.5
[M+HCOO]- 240.13536 166.2
[M+CH3COO]- 254.15101 188.9
[M+Na-2H]- 216.11183 149.5
[M]+ 195.13661 145.6
[M]- 195.13771 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