CID 47287

64082-42-4

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCCC(CC1(C(=O)NC(=O)NC1=O)CC=C)O
InChI
InChI=1S/C12H18N2O4/c1-3-5-8(15)7-12(6-4-2)9(16)13-11(18)14-10(12)17/h4,8,15H,2-3,5-7H2,1H3,(H2,13,14,16,17,18)
InChIKey
BUXZCNPYVIAPTE-UHFFFAOYSA-N
Compound name
5-(2-hydroxypentyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.1
[M+Na]+ 277.115878 164.2
[M-H]- 253.119384 154.3
[M+NH4]+ 272.160483 172.3
[M+K]+ 293.089818 160.0
[M+H-H2O]+ 237.123920 152.5
[M+HCOO]- 299.124861 170.7
[M+CH3COO]- 313.140511 188.5
[M+Na-2H]- 275.101326 158.6
[M]+ 254.12611142 154.2
[M]- 254.12720858 154.2
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.