CID 54592802

1270427-41-2

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]+ 188.106996 134.4
[M+Na]+ 210.088938 144.8
[M-H]- 186.092444 143.5
[M+NH4]+ 205.133543 150.4
[M+K]+ 226.062878 142.0
[M+H-H2O]+ 170.096980 128.4
[M+HCOO]- 232.097921 159.0
[M+CH3COO]- 246.113571 148.7
[M+Na-2H]- 208.074386 141.7
[M]+ 187.09917142 137.7
[M]- 187.10026858 137.7
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.