CID 39313

2-(dimethylamino)methyl-3-hydroxyfluoren-9-one hydrochloride

Structural Information

Molecular Formula
C16H15NO2
SMILES
CN(C)CC1=CC2=C(C=C1O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15NO2/c1-17(2)9-10-7-14-13(8-15(10)18)11-5-3-4-6-12(11)16(14)19/h3-8,18H,9H2,1-2H3
InChIKey
GFVKYRQSXYSHPV-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-hydroxyfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 156.0
[M+Na]+ 276.099498 165.7
[M-H]- 252.103004 162.4
[M+NH4]+ 271.144103 177.3
[M+K]+ 292.073438 161.8
[M+H-H2O]+ 236.107540 150.1
[M+HCOO]- 298.108481 179.2
[M+CH3COO]- 312.124131 201.1
[M+Na-2H]- 274.084946 160.6
[M]+ 253.10973142 159.1
[M]- 253.11082858 159.1
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.