CID 3063202

1-(3-(9-hydroxyfluoren-9-yl)-2-propynyl)-1-methylpyrrolidinium bromide

Structural Information

Molecular Formula
C21H22NO
SMILES
C[N+]1(CCCC1)CC#CC2(C3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C21H22NO/c1-22(14-6-7-15-22)16-8-13-21(23)19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-5,9-12,23H,6-7,14-16H2,1H3/q+1
InChIKey
AHRZLWNZXYWCEX-UHFFFAOYSA-N
Compound name
9-[3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-ynyl]fluoren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17014 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17742 184.6
[M+Na]+ 327.15936 196.7
[M-H]- 303.16286 188.3
[M+NH4]+ 322.20396 204.4
[M+K]+ 343.13330 178.1
[M+H-H2O]+ 287.16740 173.3
[M+HCOO]- 349.16834 196.6
[M+CH3COO]- 363.18399 193.3
[M+Na-2H]- 325.14481 187.2
[M]+ 304.16959 176.3
[M]- 304.17069 176.3
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.