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

1214
Patents

129.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.097486 128.6
[M+Na]+ 152.079428 136.5
[M-H]- 128.082934 126.6
[M+NH4]+ 147.124033 146.2
[M+K]+ 168.053368 134.9
[M+H-H2O]+ 112.087470 121.6
[M+HCOO]- 174.088411 145.0
[M+CH3COO]- 188.104061 169.4
[M+Na-2H]- 150.064876 133.8
[M]+ 129.08966142 124.0
[M]- 129.09075858 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