CID 3149175

374910-04-0

Structural Information

Molecular Formula
C13H15NO
SMILES
C1=CC=C(C=C1)C(CCN)C2=CC=CO2
InChI
InChI=1S/C13H15NO/c14-9-8-12(13-7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10,12H,8-9,14H2
InChIKey
UHZRFMKKTZNLNH-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

201.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 145.6
[M+Na]+ 224.10459 151.6
[M-H]- 200.10809 152.3
[M+NH4]+ 219.14919 164.3
[M+K]+ 240.07853 149.6
[M+H-H2O]+ 184.11263 138.8
[M+HCOO]- 246.11357 169.9
[M+CH3COO]- 260.12922 186.0
[M+Na-2H]- 222.09004 150.7
[M]+ 201.11482 144.9
[M]- 201.11592 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe