CID 111481

2-furanaminium, tetrahydro-n,n-dimethyl-n-(oxiranylmethyl)-, chloride

Structural Information

Molecular Formula
C9H18NO2
SMILES
C[N+](C)(CC1CO1)C2CCCO2
InChI
InChI=1S/C9H18NO2/c1-10(2,6-8-7-12-8)9-4-3-5-11-9/h8-9H,3-7H2,1-2H3/q+1
InChIKey
CXDVEWASIPKGDK-UHFFFAOYSA-N
Compound name
dimethyl-(oxiran-2-ylmethyl)-(oxolan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.13376 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.141036 127.1
[M+Na]+ 195.122978 134.3
[M-H]- 171.126484 137.0
[M+NH4]+ 190.167583 142.1
[M+K]+ 211.096918 131.0
[M+H-H2O]+ 155.131020 124.1
[M+HCOO]- 217.131961 148.7
[M+CH3COO]- 231.147611 179.6
[M+Na-2H]- 193.108426 138.3
[M]+ 172.13321142 128.9
[M]- 172.13430858 128.9
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.