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]+ 130.09749 127.0
[M+Na]+ 152.07943 134.4
[M-H]- 128.08293 127.3
[M+NH4]+ 147.12403 146.1
[M+K]+ 168.05337 133.4
[M+H-H2O]+ 112.08747 120.3
[M+HCOO]- 174.08841 146.7
[M+CH3COO]- 188.10406 173.2
[M+Na-2H]- 150.06488 132.1
[M]+ 129.08966 121.9
[M]- 129.09076 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