CID 3088607

4-dibenzofuranol, 6,7,8,9-tetrahydro-3-((dimethylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H19NO2
SMILES
CN(C)CC1=C(C2=C(C=C1)C3=C(O2)CCCC3)O
InChI
InChI=1S/C15H19NO2/c1-16(2)9-10-7-8-12-11-5-3-4-6-13(11)18-15(12)14(10)17/h7-8,17H,3-6,9H2,1-2H3
InChIKey
LHHYWIHCWGKBGR-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 154.5
[M+Na]+ 268.130808 162.7
[M-H]- 244.134314 160.9
[M+NH4]+ 263.175413 174.7
[M+K]+ 284.104748 160.6
[M+H-H2O]+ 228.138850 148.6
[M+HCOO]- 290.139791 175.6
[M+CH3COO]- 304.155441 167.6
[M+Na-2H]- 266.116256 160.1
[M]+ 245.14104142 156.8
[M]- 245.14213858 156.8
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.