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]+ 292.169596 178.4
[M+Na]+ 314.151538 189.6
[M-H]- 290.155044 181.6
[M+NH4]+ 309.196143 197.4
[M+K]+ 330.125478 179.3
[M+H-H2O]+ 274.159580 165.9
[M+HCOO]- 336.160521 194.3
[M+CH3COO]- 350.176171 188.1
[M+Na-2H]- 312.136986 181.3
[M]+ 291.16177142 174.9
[M]- 291.16286858 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.