CID 6447697

1-(2-methylcrotonoyl)urea

Structural Information

Molecular Formula
C6H10N2O2
SMILES
C/C=C(\C)/C(=O)NC(=O)N
InChI
InChI=1S/C6H10N2O2/c1-3-4(2)5(9)8-6(7)10/h3H,1-2H3,(H3,7,8,9,10)/b4-3+
InChIKey
KPLOBWJPGLNWTH-ONEGZZNKSA-N
Compound name
(E)-N-carbamoyl-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 131.2
[M+Na]+ 165.06345 137.1
[M-H]- 141.06695 131.3
[M+NH4]+ 160.10805 151.8
[M+K]+ 181.03739 137.0
[M+H-H2O]+ 125.07149 126.0
[M+HCOO]- 187.07243 154.5
[M+CH3COO]- 201.08808 178.1
[M+Na-2H]- 163.04890 133.7
[M]+ 142.07368 128.3
[M]- 142.07478 128.3
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.