CID 9372

Beta-chloroethyldifurfurylamine hydrochloride

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1=COC(=C1)CN(CCCl)CC2=CC=CO2
InChI
InChI=1S/C12H14ClNO2/c13-5-6-14(9-11-3-1-7-15-11)10-12-4-2-8-16-12/h1-4,7-8H,5-6,9-10H2
InChIKey
RCBYQFCNGPNHTE-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(furan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 155.0
[M+Na]+ 262.06052 163.3
[M-H]- 238.06402 164.3
[M+NH4]+ 257.10512 174.4
[M+K]+ 278.03446 162.3
[M+H-H2O]+ 222.06856 149.1
[M+HCOO]- 284.06950 178.1
[M+CH3COO]- 298.08515 192.2
[M+Na-2H]- 260.04597 160.4
[M]+ 239.07075 162.8
[M]- 239.07185 162.8
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.