CID 53191

Acetamide, 2-chloro-n-(2-hydroxyethyl)-n-((5-methyl-2-furanyl)methyl)-

Structural Information

Molecular Formula
C10H14ClNO3
SMILES
CC1=CC=C(O1)CN(CCO)C(=O)CCl
InChI
InChI=1S/C10H14ClNO3/c1-8-2-3-9(15-8)7-12(4-5-13)10(14)6-11/h2-3,13H,4-7H2,1H3
InChIKey
WPXIBTKEGYOWLY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hydroxyethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06622 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07350 151.9
[M+Na]+ 254.05544 159.3
[M-H]- 230.05894 156.1
[M+NH4]+ 249.10004 170.9
[M+K]+ 270.02938 157.8
[M+H-H2O]+ 214.06348 146.7
[M+HCOO]- 276.06442 171.1
[M+CH3COO]- 290.08007 190.4
[M+Na-2H]- 252.04089 154.7
[M]+ 231.06567 157.2
[M]- 231.06677 157.2
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.