CID 95479

Nsc 13403

Structural Information

Molecular Formula
C6H12N4O2
SMILES
CC1CC(NC(=O)N1)NC(=O)N
InChI
InChI=1S/C6H12N4O2/c1-3-2-4(9-5(7)11)10-6(12)8-3/h3-4H,2H2,1H3,(H3,7,9,11)(H2,8,10,12)
InChIKey
CZAUMIGWDFREBR-UHFFFAOYSA-N
Compound name
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

640
Patents

172.09602 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 138.4
[M+Na]+ 195.08524 143.8
[M-H]- 171.08874 135.9
[M+NH4]+ 190.12984 153.8
[M+K]+ 211.05918 141.1
[M+H-H2O]+ 155.09328 131.6
[M+HCOO]- 217.09422 155.2
[M+CH3COO]- 231.10987 178.3
[M+Na-2H]- 193.07069 141.1
[M]+ 172.09547 129.3
[M]- 172.09657 129.3
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.