CID 48403

Brn 0218790

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC1(C(=O)NC(=O)NC1=O)CC=C2CCCCC2
InChI
InChI=1S/C13H18N2O3/c1-13(8-7-9-5-3-2-4-6-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey
MPNREBGLZWOWPC-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylideneethyl)-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 159.9
[M+Na]+ 273.120958 164.8
[M-H]- 249.124464 160.0
[M+NH4]+ 268.165563 174.5
[M+K]+ 289.094898 160.0
[M+H-H2O]+ 233.129000 152.6
[M+HCOO]- 295.129941 171.6
[M+CH3COO]- 309.145591 187.1
[M+Na-2H]- 271.106406 160.6
[M]+ 250.13119142 150.4
[M]- 250.13228858 150.4
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.