CID 5354486

(2-ethylcrotonoyl)urea

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-HWKANZROSA-N
Compound name
(E)-N-carbamoyl-2-ethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

1348
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 136.1
[M+Na]+ 179.07909 142.7
[M+NH4]+ 174.12369 141.7
[M+K]+ 195.05303 139.8
[M-H]- 155.08259 134.5
[M+Na-2H]- 177.06454 137.3
[M]+ 156.08932 135.9
[M]- 156.09042 135.9
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