CID 87138

17493-73-1

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CC1=C(C(=CC=C1)C)N(COC(C)C)C(=O)CCl
InChI
InChI=1S/C14H20ClNO2/c1-10(2)18-9-16(13(17)8-15)14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3
InChIKey
IYLMCARCSCXVNP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dimethylphenyl)-N-(propan-2-yloxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

269.11826 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 161.3
[M+Na]+ 292.10748 173.2
[M+NH4]+ 287.15208 169.0
[M+K]+ 308.08142 166.9
[M-H]- 268.11098 163.5
[M+Na-2H]- 290.09293 166.6
[M]+ 269.11771 163.8
[M]- 269.11881 163.8
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

patents stripe