CID 121033

Np 250

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CN(C)CCNC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H17ClN2O2/c1-15(2)8-7-14-12(16)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKey
VFEUKRULGBAHHV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.09787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 158.1
[M+Na]+ 279.08709 164.3
[M-H]- 255.09059 162.7
[M+NH4]+ 274.13169 176.0
[M+K]+ 295.06103 161.9
[M+H-H2O]+ 239.09513 151.7
[M+HCOO]- 301.09607 179.3
[M+CH3COO]- 315.11172 201.9
[M+Na-2H]- 277.07254 162.0
[M]+ 256.09732 162.7
[M]- 256.09842 162.7
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