CID 216722

Dimethylethylfurfurylammonium iodide

Structural Information

Molecular Formula
C9H16NO
SMILES
CC[N+](C)(C)CC1=CC=CO1
InChI
InChI=1S/C9H16NO/c1-4-10(2,3)8-9-6-5-7-11-9/h5-7H,4,8H2,1-3H3/q+1
InChIKey
YPIGPFJCANGQRW-UHFFFAOYSA-N
Compound name
ethyl-(furan-2-ylmethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

154.12318 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.13046 131.1
[M+Na]+ 177.11240 138.4
[M-H]- 153.11590 137.0
[M+NH4]+ 172.15700 153.2
[M+K]+ 193.08634 133.8
[M+H-H2O]+ 137.12044 128.9
[M+HCOO]- 199.12138 156.2
[M+CH3COO]- 213.13703 174.8
[M+Na-2H]- 175.09785 142.1
[M]+ 154.12263 132.6
[M]- 154.12373 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe