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]+ 167.130456 134.8
[M+Na]+ 189.112398 142.0
[M-H]- 165.115904 140.5
[M+NH4]+ 184.157003 156.4
[M+K]+ 205.086338 136.5
[M+H-H2O]+ 149.120440 132.4
[M+HCOO]- 211.121381 159.7
[M+CH3COO]- 225.137031 176.7
[M+Na-2H]- 187.097846 145.2
[M]+ 166.12263142 136.0
[M]- 166.12372858 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.