CID 53197

75228-93-2

Structural Information

Molecular Formula
C11H16ClNO4
SMILES
COCC1=CC=C(O1)CN(CCO)C(=O)CCl
InChI
InChI=1S/C11H16ClNO4/c1-16-8-10-3-2-9(17-10)7-13(4-5-14)11(15)6-12/h2-3,14H,4-8H2,1H3
InChIKey
JWDOASRSUINENW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hydroxyethyl)-N-[[5-(methoxymethyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07678 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08406 158.8
[M+Na]+ 284.06600 165.7
[M-H]- 260.06950 162.9
[M+NH4]+ 279.11060 176.6
[M+K]+ 300.03994 164.5
[M+H-H2O]+ 244.07404 153.3
[M+HCOO]- 306.07498 178.0
[M+CH3COO]- 320.09063 195.5
[M+Na-2H]- 282.05145 161.3
[M]+ 261.07623 166.0
[M]- 261.07733 166.0
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.