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]+ 257.149576 159.9
[M+Na]+ 279.131518 164.6
[M-H]- 255.135024 163.4
[M+NH4]+ 274.176123 178.2
[M+K]+ 295.105458 165.6
[M+H-H2O]+ 239.139560 155.2
[M+HCOO]- 301.140501 179.0
[M+CH3COO]- 315.156151 200.7
[M+Na-2H]- 277.116966 158.4
[M]+ 256.14175142 158.7
[M]- 256.14284858 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.