CID 21149702

1-propanol, 3-((2-ethyl-3-benzofuranyl)methylamino)-

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCC1=C(C2=CC=CC=C2O1)N(C)CCCO
InChI
InChI=1S/C14H19NO2/c1-3-12-14(15(2)9-6-10-16)11-7-4-5-8-13(11)17-12/h4-5,7-8,16H,3,6,9-10H2,1-2H3
InChIKey
VVHRIXQVAWOFPI-UHFFFAOYSA-N
Compound name
3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.7
[M+Na]+ 256.13081 162.0
[M-H]- 232.13431 159.3
[M+NH4]+ 251.17541 173.4
[M+K]+ 272.10475 160.4
[M+H-H2O]+ 216.13885 147.6
[M+HCOO]- 278.13979 178.2
[M+CH3COO]- 292.15544 195.5
[M+Na-2H]- 254.11626 159.4
[M]+ 233.14104 159.2
[M]- 233.14214 159.2
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.