CID 135625307

102856-34-8

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CCCC(C)C1(C(=O)NC(=NO)NC1=O)CC
InChI
InChI=1S/C11H19N3O3/c1-4-6-7(3)11(5-2)8(15)12-10(14-17)13-9(11)16/h7,17H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
NUSFMNUYSBYLOQ-UHFFFAOYSA-N
Compound name
5-ethyl-2-hydroxyimino-5-pentan-2-yl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

241.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 155.9
[M+Na]+ 264.13186 161.9
[M-H]- 240.13536 153.8
[M+NH4]+ 259.17646 171.3
[M+K]+ 280.10580 158.8
[M+H-H2O]+ 224.13990 149.9
[M+HCOO]- 286.14084 171.0
[M+CH3COO]- 300.15649 190.9
[M+Na-2H]- 262.11731 157.6
[M]+ 241.14209 151.9
[M]- 241.14319 151.9
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