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]+ 230.15395 155.3
[M+Na]+ 252.13589 167.3
[M+NH4]+ 247.18049 164.2
[M+K]+ 268.10983 161.6
[M-H]- 228.13939 161.3
[M+Na-2H]- 250.12134 163.2
[M]+ 229.14612 158.7
[M]- 229.14722 158.7
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.