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

1515
Patents

156.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 135.9
[M+Na]+ 179.07909 141.3
[M-H]- 155.08259 135.7
[M+NH4]+ 174.12369 155.8
[M+K]+ 195.05303 140.9
[M+H-H2O]+ 139.08713 130.4
[M+HCOO]- 201.08807 158.8
[M+CH3COO]- 215.10372 181.1
[M+Na-2H]- 177.06454 137.8
[M]+ 156.08932 133.3
[M]- 156.09042 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.