CID 18549

Alpha-benzyl-n-propylfurfurylamine

Structural Information

Molecular Formula
C15H19NO
SMILES
CCCNC(CC1=CC=CC=C1)C2=CC=CO2
InChI
InChI=1S/C15H19NO/c1-2-10-16-14(15-9-6-11-17-15)12-13-7-4-3-5-8-13/h3-9,11,14,16H,2,10,12H2,1H3
InChIKey
KSDHOBPTXOROPO-UHFFFAOYSA-N
Compound name
N-[1-(furan-2-yl)-2-phenylethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 154.6
[M+Na]+ 252.135888 159.7
[M-H]- 228.139394 161.4
[M+NH4]+ 247.180493 172.4
[M+K]+ 268.109828 157.5
[M+H-H2O]+ 212.143930 147.3
[M+HCOO]- 274.144871 178.8
[M+CH3COO]- 288.160521 192.6
[M+Na-2H]- 250.121336 159.6
[M]+ 229.14612142 155.5
[M]- 229.14721858 155.5
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.