CID 24703589

2-chloro-n-ethyl-n-(2-methylprop-2-en-1-yl)propanamide

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CCN(CC(=C)C)C(=O)C(C)Cl
InChI
InChI=1S/C9H16ClNO/c1-5-11(6-7(2)3)9(12)8(4)10/h8H,2,5-6H2,1,3-4H3
InChIKey
MXCLKCZZDWCTNJ-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09204 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 143.0
[M+Na]+ 212.081258 149.2
[M-H]- 188.084764 144.5
[M+NH4]+ 207.125863 163.9
[M+K]+ 228.055198 147.9
[M+H-H2O]+ 172.089300 138.9
[M+HCOO]- 234.090241 160.7
[M+CH3COO]- 248.105891 190.5
[M+Na-2H]- 210.066706 143.9
[M]+ 189.09149142 145.9
[M]- 189.09258858 145.9
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.