CID 3058404

75228-74-9

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 144.1
[M+Na]+ 224.04487 152.5
[M-H]- 200.04837 149.9
[M+NH4]+ 219.08947 165.1
[M+K]+ 240.01881 151.6
[M+H-H2O]+ 184.05291 139.1
[M+HCOO]- 246.05385 164.9
[M+CH3COO]- 260.06950 188.0
[M+Na-2H]- 222.03032 147.9
[M]+ 201.05510 149.5
[M]- 201.05620 149.5
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.