CID 3144389

53387-67-0

Structural Information

Molecular Formula
C11H11NO
SMILES
C1=CC=C(C=C1)C(C2=CC=CO2)N
InChI
InChI=1S/C11H11NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H,12H2
InChIKey
PUJSAEOHZQWRLE-UHFFFAOYSA-N
Compound name
furan-2-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

173.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 137.0
[M+Na]+ 196.07328 149.6
[M+NH4]+ 191.11788 146.5
[M+K]+ 212.04722 145.1
[M-H]- 172.07678 143.0
[M+Na-2H]- 194.05873 145.6
[M]+ 173.08351 140.5
[M]- 173.08461 140.5
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