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]+ 171.125376 133.7
[M+Na]+ 193.107318 141.9
[M-H]- 169.110824 140.0
[M+NH4]+ 188.151923 155.5
[M+K]+ 209.081258 137.7
[M+H-H2O]+ 153.115360 131.6
[M+HCOO]- 215.116301 159.0
[M+CH3COO]- 229.131951 177.8
[M+Na-2H]- 191.092766 144.2
[M]+ 170.11755142 137.0
[M]- 170.11864858 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.