CID 24847543

Urea, 1-(2-ethylidenevaleryl)-

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CCC/C(=C\C)/C(=O)NC(=O)N
InChI
InChI=1S/C8H14N2O2/c1-3-5-6(4-2)7(11)10-8(9)12/h4H,3,5H2,1-2H3,(H3,9,10,11,12)/b6-4+
InChIKey
JCXRJAHEVLHYQV-GQCTYLIASA-N
Compound name
(2E)-N-carbamoyl-2-ethylidenepentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 140.5
[M+Na]+ 193.09475 145.5
[M-H]- 169.09825 140.1
[M+NH4]+ 188.13935 159.9
[M+K]+ 209.06869 144.9
[M+H-H2O]+ 153.10279 134.9
[M+HCOO]- 215.10373 163.1
[M+CH3COO]- 229.11938 184.2
[M+Na-2H]- 191.08020 141.9
[M]+ 170.10498 138.3
[M]- 170.10608 138.3
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.