CID 47950

5-chloromethylfurmethide

Structural Information

Molecular Formula
C9H15ClNO
SMILES
C[N+](C)(C)CC1=CC=C(O1)CCl
InChI
InChI=1S/C9H15ClNO/c1-11(2,3)7-9-5-4-8(6-10)12-9/h4-5H,6-7H2,1-3H3/q+1
InChIKey
QYVDZFKIVYMVSW-UHFFFAOYSA-N
Compound name
[5-(chloromethyl)furan-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08421 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09149 138.9
[M+Na]+ 211.07343 147.7
[M-H]- 187.07693 144.8
[M+NH4]+ 206.11803 160.7
[M+K]+ 227.04737 140.9
[M+H-H2O]+ 171.08147 137.4
[M+HCOO]- 233.08241 159.2
[M+CH3COO]- 247.09806 179.7
[M+Na-2H]- 209.05888 148.4
[M]+ 188.08366 142.6
[M]- 188.08476 142.6
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.