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]+ 171.112806 140.5
[M+Na]+ 193.094748 145.5
[M-H]- 169.098254 140.1
[M+NH4]+ 188.139353 159.9
[M+K]+ 209.068688 144.9
[M+H-H2O]+ 153.102790 134.9
[M+HCOO]- 215.103731 163.1
[M+CH3COO]- 229.119381 184.2
[M+Na-2H]- 191.080196 141.9
[M]+ 170.10498142 138.3
[M]- 170.10607858 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.