CID 16434

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

Structural Information

Molecular Formula
C20H19NO
SMILES
C1CCN(C1)CC#CC2(C3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C20H19NO/c22-20(12-7-15-21-13-5-6-14-21)18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,22H,5-6,13-15H2
InChIKey
MLMPTZDLPRBMAN-UHFFFAOYSA-N
Compound name
9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

289.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15395 176.3
[M+Na]+ 312.13589 187.9
[M-H]- 288.13939 179.4
[M+NH4]+ 307.18049 194.9
[M+K]+ 328.10983 175.2
[M+H-H2O]+ 272.14393 162.7
[M+HCOO]- 334.14487 189.1
[M+CH3COO]- 348.16052 185.4
[M+Na-2H]- 310.12134 176.8
[M]+ 289.14612 168.7
[M]- 289.14722 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.