CID 11993871

(5-phenylfuran-2-yl)methanamine

Structural Information

Molecular Formula
C11H11NO
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)CN
InChI
InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
InChIKey
HQHHWOJYOUTZHZ-UHFFFAOYSA-N
Compound name
(5-phenylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

173.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 136.3
[M+Na]+ 196.07328 149.6
[M+NH4]+ 191.11788 145.9
[M+K]+ 212.04722 144.5
[M-H]- 172.07678 142.5
[M+Na-2H]- 194.05873 145.0
[M]+ 173.08351 140.0
[M]- 173.08461 140.0
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