CID 10938

Furtrethonium

Structural Information

Molecular Formula
C8H14NO
SMILES
C[N+](C)(C)CC1=CC=CO1
InChI
InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChIKey
HEDXEAAVEOJUCR-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

1284
Patents

140.10754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11482 126.1
[M+Na]+ 163.09676 133.9
[M-H]- 139.10026 132.2
[M+NH4]+ 158.14136 148.8
[M+K]+ 179.07070 129.5
[M+H-H2O]+ 123.10480 124.2
[M+HCOO]- 185.10574 151.6
[M+CH3COO]- 199.12139 171.7
[M+Na-2H]- 161.08221 137.7
[M]+ 140.10699 127.3
[M]- 140.10809 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe