CID 26954

N-(p-chloro-alpha-methylphenethyl)furfurylamine hydrochloride

Structural Information

Molecular Formula
C14H16ClNO
SMILES
CC(CC1=CC=C(C=C1)Cl)NCC2=CC=CO2
InChI
InChI=1S/C14H16ClNO/c1-11(16-10-14-3-2-8-17-14)9-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
InChIKey
ZJIFKOUJJWZUTD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09932 158.3
[M+Na]+ 272.08126 165.4
[M-H]- 248.08476 165.3
[M+NH4]+ 267.12586 176.4
[M+K]+ 288.05520 161.5
[M+H-H2O]+ 232.08930 151.8
[M+HCOO]- 294.09024 178.0
[M+CH3COO]- 308.10589 194.5
[M+Na-2H]- 270.06671 162.3
[M]+ 249.09149 161.3
[M]- 249.09259 161.3
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.