CID 58772581

1-amino-3-methyl-1,3-diazinan-2-one

Structural Information

Molecular Formula
C5H11N3O
SMILES
CN1CCCN(C1=O)N
InChI
InChI=1S/C5H11N3O/c1-7-3-2-4-8(6)5(7)9/h2-4,6H2,1H3
InChIKey
KTANLHGRLYUOQT-UHFFFAOYSA-N
Compound name
1-amino-3-methyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

129.09021 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.097486 127.0
[M+Na]+ 152.079428 134.4
[M-H]- 128.082934 127.3
[M+NH4]+ 147.124033 146.1
[M+K]+ 168.053368 133.4
[M+H-H2O]+ 112.087470 120.3
[M+HCOO]- 174.088411 146.7
[M+CH3COO]- 188.104061 173.2
[M+Na-2H]- 150.064876 132.1
[M]+ 129.08966142 121.9
[M]- 129.09075858 121.9
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