CID 42823

Brn 2115668

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CCNC(=O)C1=C(C(=CC(=C1)Cl)C)OCC=C
InChI
InChI=1S/C13H16ClNO2/c1-4-6-17-12-9(3)7-10(14)8-11(12)13(16)15-5-2/h4,7-8H,1,5-6H2,2-3H3,(H,15,16)
InChIKey
JKTUHAHIEADJDG-UHFFFAOYSA-N
Compound name
5-chloro-N-ethyl-3-methyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.094236 155.9
[M+Na]+ 276.076178 164.7
[M-H]- 252.079684 159.8
[M+NH4]+ 271.120783 174.3
[M+K]+ 292.050118 160.1
[M+H-H2O]+ 236.084220 150.7
[M+HCOO]- 298.085161 175.5
[M+CH3COO]- 312.100811 198.0
[M+Na-2H]- 274.061626 158.5
[M]+ 253.08641142 160.5
[M]- 253.08750858 160.5
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.