CID 81646

1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN1CCCN(C1=O)C
InChI
InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKey
GUVUOGQBMYCBQP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

38180
Patents

128.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 126.5
[M+Na]+ 151.084178 134.3
[M-H]- 127.087684 127.2
[M+NH4]+ 146.128783 146.2
[M+K]+ 167.058118 133.6
[M+H-H2O]+ 111.092220 120.0
[M+HCOO]- 173.093161 145.4
[M+CH3COO]- 187.108811 172.1
[M+Na-2H]- 149.069626 131.9
[M]+ 128.09441142 123.5
[M]- 128.09550858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe