CID 16436

9-(3-(diethylamino)-1-propynyl)fluoren-9-ol hydrochloride

Structural Information

Molecular Formula
C20H21NO
SMILES
CCN(CC)CC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C20H21NO/c1-3-21(4-2)15-9-14-20(22)18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h5-8,10-13,22H,3-4,15H2,1-2H3
InChIKey
WFISTBRSNNYJFF-UHFFFAOYSA-N
Compound name
9-[3-(diethylamino)prop-1-ynyl]fluoren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 178.4
[M+Na]+ 314.15154 189.6
[M-H]- 290.15504 181.6
[M+NH4]+ 309.19614 197.4
[M+K]+ 330.12548 179.3
[M+H-H2O]+ 274.15958 165.9
[M+HCOO]- 336.16052 194.3
[M+CH3COO]- 350.17617 188.1
[M+Na-2H]- 312.13699 181.3
[M]+ 291.16177 174.9
[M]- 291.16287 174.9
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.