CID 10130548

7-(2-aminopropyl)benzofuran

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(CC1=CC=CC2=C1OC=C2)N
InChI
InChI=1S/C11H13NO/c1-8(12)7-10-4-2-3-9-5-6-13-11(9)10/h2-6,8H,7,12H2,1H3
InChIKey
YVMDMFRZSDUZLK-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-7-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

175.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.6
[M+Na]+ 198.088938 145.5
[M-H]- 174.092444 141.9
[M+NH4]+ 193.133543 158.2
[M+K]+ 214.062878 143.8
[M+H-H2O]+ 158.096980 131.1
[M+HCOO]- 220.097921 161.4
[M+CH3COO]- 234.113571 182.6
[M+Na-2H]- 196.074386 143.7
[M]+ 175.09917142 138.3
[M]- 175.10026858 138.3
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