CID 102336592

1-(benzofuran-5-yl)-n-methylpropan-2-amine

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(CC1=CC2=C(C=C1)OC=C2)NC
InChI
InChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3
InChIKey
ZOVRTIPCNFERHY-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

189.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 140.9
[M+Na]+ 212.10459 149.4
[M-H]- 188.10809 146.6
[M+NH4]+ 207.14919 162.2
[M+K]+ 228.07853 147.7
[M+H-H2O]+ 172.11263 135.2
[M+HCOO]- 234.11357 166.0
[M+CH3COO]- 248.12922 186.3
[M+Na-2H]- 210.09004 148.5
[M]+ 189.11482 144.0
[M]- 189.11592 144.0
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