CID 2867136

2-(4-chloro-2-methylphenoxy)-n-(oxolan-2-ylmethyl)propanamide

Structural Information

Molecular Formula
C15H20ClNO3
SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC2CCCO2
InChI
InChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKey
TYGRIAGJNRUJDF-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11316 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12044 170.8
[M+Na]+ 320.10238 176.3
[M-H]- 296.10588 177.6
[M+NH4]+ 315.14698 186.9
[M+K]+ 336.07632 173.6
[M+H-H2O]+ 280.11042 164.5
[M+HCOO]- 342.11136 187.0
[M+CH3COO]- 356.12701 202.9
[M+Na-2H]- 318.08783 170.7
[M]+ 297.11261 173.2
[M]- 297.11371 173.2
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.