CID 76756

2(1h)-pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-

Structural Information

Molecular Formula
C6H12N2O3
SMILES
C1CN(C(=O)N(C1)CO)CO
InChI
InChI=1S/C6H12N2O3/c9-4-7-2-1-3-8(5-10)6(7)11/h9-10H,1-5H2
InChIKey
IQDKUTQPYBHPJK-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

774
Patents

160.0848 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.1
[M+Na]+ 183.07402 140.9
[M-H]- 159.07752 132.0
[M+NH4]+ 178.11862 150.9
[M+K]+ 199.04796 139.3
[M+H-H2O]+ 143.08206 127.7
[M+HCOO]- 205.08300 150.5
[M+CH3COO]- 219.09865 171.2
[M+Na-2H]- 181.05947 138.4
[M]+ 160.08425 130.3
[M]- 160.08535 130.3
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

No patent data available for this compound.