CID 16438

2110-39-6

Structural Information

Molecular Formula
C19H20NO
SMILES
C[N+](C)(C)CC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C19H20NO/c1-20(2,3)14-8-13-19(21)17-11-6-4-9-15(17)16-10-5-7-12-18(16)19/h4-7,9-12,21H,14H2,1-3H3/q+1
InChIKey
MVLLREBHZDPXAS-UHFFFAOYSA-N
Compound name
3-(9-hydroxyfluoren-9-yl)prop-2-ynyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16176 179.3
[M+Na]+ 301.14370 191.1
[M-H]- 277.14720 183.1
[M+NH4]+ 296.18830 198.8
[M+K]+ 317.11764 176.1
[M+H-H2O]+ 261.15174 169.9
[M+HCOO]- 323.15268 194.4
[M+CH3COO]- 337.16833 202.3
[M+Na-2H]- 299.12915 186.1
[M]+ 278.15393 174.1
[M]- 278.15503 174.1
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.