CID 3608

Hexobarbital

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2
InChI
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKey
UYXAWHWODHRRMR-UHFFFAOYSA-N
Compound name
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2511
References

9955
Patents

236.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.9
[M+Na]+ 259.10531 165.9
[M+NH4]+ 254.14991 162.5
[M+K]+ 275.07925 158.9
[M-H]- 235.10881 155.8
[M+Na-2H]- 257.09076 160.0
[M]+ 236.11554 156.5
[M]- 236.11664 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe