CID 5895404

Ectylurea

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC/C(=C/C)/C(=O)NC(=O)N
InChI
InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3-
InChIKey
QCUPYFTWJOZAOB-HYXAFXHYSA-N
Compound name
(Z)-N-carbamoyl-2-ethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

1518
Patents

156.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 135.9
[M+Na]+ 179.079088 141.3
[M-H]- 155.082594 135.7
[M+NH4]+ 174.123693 155.8
[M+K]+ 195.053028 140.9
[M+H-H2O]+ 139.087130 130.4
[M+HCOO]- 201.088071 158.8
[M+CH3COO]- 215.103721 181.1
[M+Na-2H]- 177.064536 137.8
[M]+ 156.08932142 133.3
[M]- 156.09041858 133.3
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.