CID 54592802

1-benzofuran-2-yl(cyclopropyl)methanamine

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC1C(C2=CC3=CC=CC=C3O2)N
InChI
InChI=1S/C12H13NO/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,7-8,12H,5-6,13H2
InChIKey
TYOXHAPCASBZJK-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(cyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 141.0
[M+Na]+ 210.08894 155.4
[M+NH4]+ 205.13354 151.4
[M+K]+ 226.06288 151.9
[M-H]- 186.09244 153.7
[M+Na-2H]- 208.07439 150.8
[M]+ 187.09917 147.8
[M]- 187.10027 147.8
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.