CID 14274791

1,3-dimethyl-1,3,5-triazinan-2-one

Structural Information

Molecular Formula
C5H11N3O
SMILES
CN1CNCN(C1=O)C
InChI
InChI=1S/C5H11N3O/c1-7-3-6-4-8(2)5(7)9/h6H,3-4H2,1-2H3
InChIKey
KVHYECHFPMHRKQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3,5-triazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1256
Patents

129.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.09749 128.6
[M+Na]+ 152.07943 136.5
[M-H]- 128.08293 126.6
[M+NH4]+ 147.12403 146.2
[M+K]+ 168.05337 134.9
[M+H-H2O]+ 112.08747 121.6
[M+HCOO]- 174.08841 145.0
[M+CH3COO]- 188.10406 169.4
[M+Na-2H]- 150.06488 133.8
[M]+ 129.08966 124.0
[M]- 129.09076 124.0
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