CID 52038

(2-furfurylcarbamoylmethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C12H21N2O2
SMILES
CC[N+](C)(CC)CC(=O)NCC1=CC=CO1
InChI
InChI=1S/C12H20N2O2/c1-4-14(3,5-2)10-12(15)13-9-11-7-6-8-16-11/h6-8H,4-5,9-10H2,1-3H3/p+1
InChIKey
FYUHGPALHBIUAV-UHFFFAOYSA-O
Compound name
diethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.16031 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16759 151.8
[M+Na]+ 248.14953 156.8
[M-H]- 224.15303 157.2
[M+NH4]+ 243.19413 170.5
[M+K]+ 264.12347 151.6
[M+H-H2O]+ 208.15757 148.3
[M+HCOO]- 270.15851 176.3
[M+CH3COO]- 284.17416 189.5
[M+Na-2H]- 246.13498 160.4
[M]+ 225.15976 153.6
[M]- 225.16086 153.6
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.