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]+ 183.10425 139.4
[M+Na]+ 205.08619 149.7
[M-H]- 181.08969 144.4
[M+NH4]+ 200.13079 162.1
[M+K]+ 221.06013 139.9
[M+H-H2O]+ 165.09423 135.7
[M+HCOO]- 227.09517 161.6
[M+CH3COO]- 241.11082 177.0
[M+Na-2H]- 203.07164 149.7
[M]+ 182.09642 139.2
[M]- 182.09752 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.