CID 212956

(2-furfurylbutyl)trimethylammonium iodide

Structural Information

Molecular Formula
C12H22NO
SMILES
CCC(CC1=CC=CO1)C[N+](C)(C)C
InChI
InChI=1S/C12H22NO/c1-5-11(10-13(2,3)4)9-12-7-6-8-14-12/h6-8,11H,5,9-10H2,1-4H3/q+1
InChIKey
CISLHWQUAOCETJ-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)butyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.17014 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.17742 145.9
[M+Na]+ 219.15936 151.7
[M-H]- 195.16286 151.4
[M+NH4]+ 214.20396 166.3
[M+K]+ 235.13330 146.7
[M+H-H2O]+ 179.16740 143.2
[M+HCOO]- 241.16834 169.0
[M+CH3COO]- 255.18399 184.6
[M+Na-2H]- 217.14481 154.0
[M]+ 196.16959 147.9
[M]- 196.17069 147.9
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.