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

12
Patents

255.1026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.109876 156.8
[M+Na]+ 278.091818 164.3
[M-H]- 254.095324 162.0
[M+NH4]+ 273.136423 175.5
[M+K]+ 294.065758 162.2
[M+H-H2O]+ 238.099860 151.3
[M+HCOO]- 300.100801 175.8
[M+CH3COO]- 314.116451 202.0
[M+Na-2H]- 276.077266 158.2
[M]+ 255.10205142 162.5
[M]- 255.10314858 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