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]+ 255.13394 158.1
[M+Na]+ 277.11588 164.2
[M-H]- 253.11938 154.3
[M+NH4]+ 272.16048 172.3
[M+K]+ 293.08982 160.0
[M+H-H2O]+ 237.12392 152.5
[M+HCOO]- 299.12486 170.7
[M+CH3COO]- 313.14051 188.5
[M+Na-2H]- 275.10133 158.6
[M]+ 254.12611 154.2
[M]- 254.12721 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.