CID 16768

Diethylacetylurea

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CCC(CC)C(=O)NC(=O)N
InChI
InChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKey
JIOUJVPLJOQUFD-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

158.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 137.1
[M+Na]+ 181.09475 142.2
[M-H]- 157.09825 136.9
[M+NH4]+ 176.13935 157.0
[M+K]+ 197.06869 142.4
[M+H-H2O]+ 141.10279 131.6
[M+HCOO]- 203.10373 159.9
[M+CH3COO]- 217.11938 182.7
[M+Na-2H]- 179.08020 139.0
[M]+ 158.10498 135.4
[M]- 158.10608 135.4
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