CID 3088622

2-dibenzofuranol, 6,7,8,9-tetrahydro-1-(((1-methylethyl)amino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(C)NCC1=C(C=CC2=C1C3=C(O2)CCCC3)O
InChI
InChI=1S/C16H21NO2/c1-10(2)17-9-12-13(18)7-8-15-16(12)11-5-3-4-6-14(11)19-15/h7-8,10,17-18H,3-6,9H2,1-2H3
InChIKey
RMOYELDCKWRGTP-UHFFFAOYSA-N
Compound name
1-[(propan-2-ylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 159.4
[M+Na]+ 282.146448 166.6
[M-H]- 258.149954 164.2
[M+NH4]+ 277.191053 178.3
[M+K]+ 298.120388 163.5
[M+H-H2O]+ 242.154490 153.5
[M+HCOO]- 304.155431 178.6
[M+CH3COO]- 318.171081 171.3
[M+Na-2H]- 280.131896 164.0
[M]+ 259.15668142 160.1
[M]- 259.15777858 160.1
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.