CID 48420

Brn 0237968

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC=C2CCCC2
InChI
InChI=1S/C13H18N2O3/c1-2-13(8-7-9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey
VNMCRIWBNUKHNK-UHFFFAOYSA-N
Compound name
5-(2-cyclopentylideneethyl)-5-ethyl-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 159.2
[M+Na]+ 273.12096 164.9
[M-H]- 249.12446 159.6
[M+NH4]+ 268.16556 175.7
[M+K]+ 289.09490 160.0
[M+H-H2O]+ 233.12900 152.5
[M+HCOO]- 295.12994 173.1
[M+CH3COO]- 309.14559 186.5
[M+Na-2H]- 271.10641 158.5
[M]+ 250.13119 151.7
[M]- 250.13229 151.7
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.