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]+ 251.13902 159.9
[M+Na]+ 273.12096 164.8
[M-H]- 249.12446 160.0
[M+NH4]+ 268.16556 174.5
[M+K]+ 289.09490 160.0
[M+H-H2O]+ 233.12900 152.6
[M+HCOO]- 295.12994 171.6
[M+CH3COO]- 309.14559 187.1
[M+Na-2H]- 271.10641 160.6
[M]+ 250.13119 150.4
[M]- 250.13229 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.