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]+ 254.09424 155.9
[M+Na]+ 276.07618 164.7
[M-H]- 252.07968 159.8
[M+NH4]+ 271.12078 174.3
[M+K]+ 292.05012 160.1
[M+H-H2O]+ 236.08422 150.7
[M+HCOO]- 298.08516 175.5
[M+CH3COO]- 312.10081 198.0
[M+Na-2H]- 274.06163 158.5
[M]+ 253.08641 160.5
[M]- 253.08751 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.