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 151.4
[M+Na]+ 262.06052 164.1
[M+NH4]+ 257.10512 160.3
[M+K]+ 278.03446 160.9
[M-H]- 238.06402 157.9
[M+Na-2H]- 260.04597 158.7
[M]+ 239.07075 155.3
[M]- 239.07185 155.3
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.