CID 3050483

66473-28-7

Structural Information

Molecular Formula
C9H16NO2
SMILES
C[N+](C)(C)CC1=CC=C(O1)OC
InChI
InChI=1S/C9H16NO2/c1-10(2,3)7-8-5-6-9(11-4)12-8/h5-6H,7H2,1-4H3/q+1
InChIKey
ZUNWDKIZXRYKPU-UHFFFAOYSA-N
Compound name
(5-methoxyfuran-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.1181 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 133.7
[M+Na]+ 193.10732 141.9
[M-H]- 169.11082 140.0
[M+NH4]+ 188.15192 155.5
[M+K]+ 209.08126 137.7
[M+H-H2O]+ 153.11536 131.6
[M+HCOO]- 215.11630 159.0
[M+CH3COO]- 229.13195 177.8
[M+Na-2H]- 191.09277 144.2
[M]+ 170.11755 137.0
[M]- 170.11865 137.0
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.