CID 18548

3201-98-7

Structural Information

Molecular Formula
C13H15NO
SMILES
CNC(CC1=CC=CC=C1)C2=CC=CO2
InChI
InChI=1S/C13H15NO/c1-14-12(13-8-5-9-15-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3
InChIKey
OJYCNSIKWPZXHW-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 145.2
[M+Na]+ 224.10459 151.1
[M-H]- 200.10809 152.3
[M+NH4]+ 219.14919 164.1
[M+K]+ 240.07853 149.5
[M+H-H2O]+ 184.11263 138.3
[M+HCOO]- 246.11357 170.1
[M+CH3COO]- 260.12922 186.6
[M+Na-2H]- 222.09004 151.3
[M]+ 201.11482 145.4
[M]- 201.11592 145.4
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.