CID 3054373

1-azafluorene iodomethylate

Structural Information

Molecular Formula
C13H12N
SMILES
C[N+]1=CC=CC2=C1CC3=CC=CC=C32
InChI
InChI=1S/C13H12N/c1-14-8-4-7-12-11-6-3-2-5-10(11)9-13(12)14/h2-8H,9H2,1H3/q+1
InChIKey
IOOJTJABCGJJOC-UHFFFAOYSA-N
Compound name
1-methyl-9H-indeno[2,1-b]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.09697 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.104246 139.4
[M+Na]+ 205.086188 149.7
[M-H]- 181.089694 144.4
[M+NH4]+ 200.130793 162.1
[M+K]+ 221.060128 139.9
[M+H-H2O]+ 165.094230 135.7
[M+HCOO]- 227.095171 161.6
[M+CH3COO]- 241.110821 177.0
[M+Na-2H]- 203.071636 149.7
[M]+ 182.09642142 139.2
[M]- 182.09751858 139.2
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.