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]+ 173.14104 127.1
[M+Na]+ 195.12298 134.3
[M-H]- 171.12648 137.0
[M+NH4]+ 190.16758 142.1
[M+K]+ 211.09692 131.0
[M+H-H2O]+ 155.13102 124.1
[M+HCOO]- 217.13196 148.7
[M+CH3COO]- 231.14761 179.6
[M+Na-2H]- 193.10843 138.3
[M]+ 172.13321 128.9
[M]- 172.13431 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.