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]+ 260.16451 159.4
[M+Na]+ 282.14645 171.3
[M+NH4]+ 277.19105 168.5
[M+K]+ 298.12039 166.4
[M-H]- 258.14995 163.8
[M+Na-2H]- 280.13190 163.1
[M]+ 259.15668 162.3
[M]- 259.15778 162.3
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.