CID 156907

Cp 89738

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CC1=C(C(=CC=C1)OC(C)C)N(C)C(=O)CCl
InChI
InChI=1S/C13H18ClNO2/c1-9(2)17-11-7-5-6-10(3)13(11)15(4)12(16)8-14/h5-7,9H,8H2,1-4H3
InChIKey
FGXFFUIRUWWSPI-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(2-methyl-6-propan-2-yloxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.1026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 156.8
[M+Na]+ 278.09182 164.3
[M-H]- 254.09532 162.0
[M+NH4]+ 273.13642 175.5
[M+K]+ 294.06576 162.2
[M+H-H2O]+ 238.09986 151.3
[M+HCOO]- 300.10080 175.8
[M+CH3COO]- 314.11645 202.0
[M+Na-2H]- 276.07727 158.2
[M]+ 255.10205 162.5
[M]- 255.10315 162.5
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

patents stripe