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 168.4
[M+Na]+ 320.10238 178.8
[M+NH4]+ 315.14698 175.8
[M+K]+ 336.07632 174.8
[M-H]- 296.10588 172.5
[M+Na-2H]- 318.08783 172.7
[M]+ 297.11261 171.1
[M]- 297.11371 171.1
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.