CID 3064369

3039 i.s.

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC1C(C2=CC=CC=C2O1)N(C)CCCO
InChI
InChI=1S/C14H21NO2/c1-3-12-14(15(2)9-6-10-16)11-7-4-5-8-13(11)17-12/h4-5,7-8,12,14,16H,3,6,9-10H2,1-2H3
InChIKey
VXIRKENXNVPLCL-UHFFFAOYSA-N
Compound name
3-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)-methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.0
[M+Na]+ 258.14645 165.6
[M+NH4]+ 253.19105 163.5
[M+K]+ 274.12039 161.2
[M-H]- 234.14995 158.7
[M+Na-2H]- 256.13190 158.6
[M]+ 235.15668 157.4
[M]- 235.15778 157.4
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.