CID 217448

38914-86-2

Structural Information

Molecular Formula
C10H18NO
SMILES
CC[N+](C)(C)CCC1=CC=CO1
InChI
InChI=1S/C10H18NO/c1-4-11(2,3)8-7-10-6-5-9-12-10/h5-6,9H,4,7-8H2,1-3H3/q+1
InChIKey
ZVLAUHRERMHORH-UHFFFAOYSA-N
Compound name
ethyl-[2-(furan-2-yl)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.13884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14612 136.0
[M+Na]+ 191.12806 142.9
[M-H]- 167.13156 141.7
[M+NH4]+ 186.17266 157.6
[M+K]+ 207.10200 138.0
[M+H-H2O]+ 151.13610 133.6
[M+HCOO]- 213.13704 160.8
[M+CH3COO]- 227.15269 177.8
[M+Na-2H]- 189.11351 146.4
[M]+ 168.13829 137.9
[M]- 168.13939 137.9
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.