CID 16756

2269-26-3

Structural Information

Molecular Formula
C21H24NO
SMILES
CC[N+](C)(CC)CC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C21H24NO/c1-4-22(3,5-2)16-10-15-21(23)19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,23H,4-5,16H2,1-3H3/q+1
InChIKey
NAYVWLBIHHHVCO-UHFFFAOYSA-N
Compound name
diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19308 187.5
[M+Na]+ 329.17502 198.5
[M-H]- 305.17852 190.9
[M+NH4]+ 324.21962 206.0
[M+K]+ 345.14896 183.0
[M+H-H2O]+ 289.18306 177.8
[M+HCOO]- 351.18400 201.9
[M+CH3COO]- 365.19965 207.6
[M+Na-2H]- 327.16047 193.3
[M]+ 306.18525 182.9
[M]- 306.18635 182.9
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.