CID 131016615

[1-(1-benzofuran-4-yl)propan-2-yl](methyl)amine

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(CC1=C2C=COC2=CC=C1)NC
InChI
InChI=1S/C12H15NO/c1-9(13-2)8-10-4-3-5-12-11(10)6-7-14-12/h3-7,9,13H,8H2,1-2H3
InChIKey
FTXAAPPHMKXGSC-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-4-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.9
[M+Na]+ 212.104588 149.4
[M-H]- 188.108094 146.6
[M+NH4]+ 207.149193 162.2
[M+K]+ 228.078528 147.7
[M+H-H2O]+ 172.112630 135.2
[M+HCOO]- 234.113571 166.0
[M+CH3COO]- 248.129221 186.3
[M+Na-2H]- 210.090036 148.5
[M]+ 189.11482142 144.0
[M]- 189.11591858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.