CID 3058404

2-chloro-n-methyl-n-[(5-methylfuran-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C9H12ClNO2
SMILES
CC1=CC=C(O1)CN(C)C(=O)CCl
InChI
InChI=1S/C9H12ClNO2/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3
InChIKey
FWBLCAAYFDBWMO-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

201.05565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06293 142.0
[M+Na]+ 224.04487 153.1
[M+NH4]+ 219.08947 150.2
[M+K]+ 240.01881 149.6
[M-H]- 200.04837 144.8
[M+Na-2H]- 222.03032 146.7
[M]+ 201.05510 144.5
[M]- 201.05620 144.5
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

No patent data available for this compound.