CID 3159593

[2-amino-1-(furan-2-yl)ethyl]diethylamine

Structural Information

Molecular Formula
C10H18N2O
SMILES
CCN(CC)C(CN)C1=CC=CO1
InChI
InChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKey
XIBTZZUXZNNSTP-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 144.8
[M+Na]+ 205.13112 149.7
[M-H]- 181.13462 149.5
[M+NH4]+ 200.17572 164.8
[M+K]+ 221.10506 150.5
[M+H-H2O]+ 165.13916 138.0
[M+HCOO]- 227.14010 169.8
[M+CH3COO]- 241.15575 189.8
[M+Na-2H]- 203.11657 148.4
[M]+ 182.14135 145.7
[M]- 182.14245 145.7
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.