CID 5381675

67050-58-2

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)/C=C/C
InChI
InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)/b6-4+
InChIKey
WAMWJEORSQYEQD-GQCTYLIASA-N
Compound name
5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 150.5
[M+Na]+ 247.10531 158.0
[M-H]- 223.10881 148.4
[M+NH4]+ 242.14991 167.0
[M+K]+ 263.07925 153.8
[M+H-H2O]+ 207.11335 144.8
[M+HCOO]- 269.11429 165.8
[M+CH3COO]- 283.12994 184.0
[M+Na-2H]- 245.09076 153.1
[M]+ 224.11554 147.2
[M]- 224.11664 147.2
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.