CID 204231

1-(3-(1,2-dimethylpropyl)-5-methyl-2-oxotetrahydro-3-furoyl)urea

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC1CC(C(=O)O1)(C(C)C(C)C)C(=O)NC(=O)N
InChI
InChI=1S/C12H20N2O4/c1-6(2)8(4)12(9(15)14-11(13)17)5-7(3)18-10(12)16/h6-8H,5H2,1-4H3,(H3,13,14,15,17)
InChIKey
YXBQAZSGXWPOHP-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-methyl-3-(3-methylbutan-2-yl)-2-oxooxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.9
[M+Na]+ 279.13152 164.6
[M-H]- 255.13502 163.4
[M+NH4]+ 274.17612 178.2
[M+K]+ 295.10546 165.6
[M+H-H2O]+ 239.13956 155.2
[M+HCOO]- 301.14050 179.0
[M+CH3COO]- 315.15615 200.7
[M+Na-2H]- 277.11697 158.4
[M]+ 256.14175 158.7
[M]- 256.14285 158.7
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.