CID 9816303

Benzofuranylpropylaminopentane

Structural Information

Molecular Formula
C16H23NO
SMILES
CCC[C@H](CC1=CC2=CC=CC=C2O1)NCCC
InChI
InChI=1S/C16H23NO/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3/t14-/m1/s1
InChIKey
LJHIBIVAYHQPBT-CQSZACIVSA-N
Compound name
(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

140
Patents

245.17796 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.2
[M+Na]+ 268.16718 166.8
[M-H]- 244.17068 165.0
[M+NH4]+ 263.21178 179.1
[M+K]+ 284.14112 164.2
[M+H-H2O]+ 228.17522 153.6
[M+HCOO]- 290.17616 183.8
[M+CH3COO]- 304.19181 198.3
[M+Na-2H]- 266.15263 165.4
[M]+ 245.17741 164.6
[M]- 245.17851 164.6
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