CID 3144389

(furan-2-yl)(phenyl)methanamine hydrochloride

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

34
Patents

173.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 136.2
[M+Na]+ 196.073278 143.0
[M-H]- 172.076784 143.2
[M+NH4]+ 191.117883 156.0
[M+K]+ 212.047218 141.5
[M+H-H2O]+ 156.081320 129.7
[M+HCOO]- 218.082261 161.1
[M+CH3COO]- 232.097911 179.9
[M+Na-2H]- 194.058726 142.4
[M]+ 173.08351142 134.7
[M]- 173.08460858 134.7
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