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]+ 171.112806 138.0
[M+Na]+ 193.094748 144.6
[M-H]- 169.098254 137.1
[M+NH4]+ 188.139353 155.1
[M+K]+ 209.068688 142.7
[M+H-H2O]+ 153.102790 131.4
[M+HCOO]- 215.103731 154.2
[M+CH3COO]- 229.119381 177.6
[M+Na-2H]- 191.080196 140.6
[M]+ 170.10498142 134.1
[M]- 170.10607858 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