CID 53196

75228-92-1

Structural Information

Molecular Formula
C11H16ClNO3
SMILES
CCN(CC1=CC=C(O1)COC)C(=O)CCl
InChI
InChI=1S/C11H16ClNO3/c1-3-13(11(14)6-12)7-9-4-5-10(16-9)8-15-2/h4-5H,3,6-8H2,1-2H3
InChIKey
JUAJWAVTJQVJAM-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08188 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08916 156.3
[M+Na]+ 268.07110 163.7
[M-H]- 244.07460 161.7
[M+NH4]+ 263.11570 175.5
[M+K]+ 284.04504 162.9
[M+H-H2O]+ 228.07914 150.7
[M+HCOO]- 290.08008 176.7
[M+CH3COO]- 304.09573 196.0
[M+Na-2H]- 266.05655 159.1
[M]+ 245.08133 163.9
[M]- 245.08243 163.9
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.