CID 48802

66968-87-4

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)CC=C(C)C
InChI
InChI=1S/C12H18N2O3/c1-5-12(7-6-8(2)3)9(15)13-11(17)14(4)10(12)16/h6H,5,7H2,1-4H3,(H,13,15,17)
InChIKey
QRTUCQRSZOGCBS-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 152.1
[M+Na]+ 261.12096 160.3
[M-H]- 237.12446 151.7
[M+NH4]+ 256.16556 169.0
[M+K]+ 277.09490 157.3
[M+H-H2O]+ 221.12900 146.6
[M+HCOO]- 283.12994 167.7
[M+CH3COO]- 297.14559 191.6
[M+Na-2H]- 259.10641 153.0
[M]+ 238.13119 150.8
[M]- 238.13229 150.8
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.