CID 107009

Allyldimethylfurfurylammonium chloride

Structural Information

Molecular Formula
C10H16NO
SMILES
C[N+](C)(CC=C)CC1=CC=CO1
InChI
InChI=1S/C10H16NO/c1-4-7-11(2,3)9-10-6-5-8-12-10/h4-6,8H,1,7,9H2,2-3H3/q+1
InChIKey
LTAWZJVFGIKUNZ-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.12318 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.13046 134.8
[M+Na]+ 189.11240 142.0
[M-H]- 165.11590 140.5
[M+NH4]+ 184.15700 156.4
[M+K]+ 205.08634 136.5
[M+H-H2O]+ 149.12044 132.4
[M+HCOO]- 211.12138 159.7
[M+CH3COO]- 225.13703 176.7
[M+Na-2H]- 187.09785 145.2
[M]+ 166.12263 136.0
[M]- 166.12373 136.0
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.