CID 4339588

651718-04-6

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CCC(C)N1CCC(=O)NC1=O
InChI
InChI=1S/C8H14N2O2/c1-3-6(2)10-5-4-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKey
YWTPQCYJVYDSBA-UHFFFAOYSA-N
Compound name
1-butan-2-yl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 138.0
[M+Na]+ 193.09475 144.6
[M-H]- 169.09825 137.1
[M+NH4]+ 188.13935 155.1
[M+K]+ 209.06869 142.7
[M+H-H2O]+ 153.10279 131.4
[M+HCOO]- 215.10373 154.2
[M+CH3COO]- 229.11938 177.6
[M+Na-2H]- 191.08020 140.6
[M]+ 170.10498 134.1
[M]- 170.10608 134.1
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

patents stripe