CID 3039346

(+-)-10,11-dihydro-12,12-dimethyl-5h-dibenzo(a,d)cyclohepten-5,10-iminium iodide

Structural Information

Molecular Formula
C17H18N
SMILES
C[N+]1(C2CC3=CC=CC=C3C1C4=CC=CC=C24)C
InChI
InChI=1S/C17H18N/c1-18(2)16-11-12-7-3-4-8-13(12)17(18)15-10-6-5-9-14(15)16/h3-10,16-17H,11H2,1-2H3/q+1
InChIKey
NQSBDJHDOBTXLI-UHFFFAOYSA-N
Compound name
16,16-dimethyl-16-azoniatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14392 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15120 154.4
[M+Na]+ 259.13314 164.1
[M-H]- 235.13664 158.4
[M+NH4]+ 254.17774 178.4
[M+K]+ 275.10708 152.4
[M+H-H2O]+ 219.14118 149.6
[M+HCOO]- 281.14212 171.4
[M+CH3COO]- 295.15777 166.7
[M+Na-2H]- 257.11859 163.9
[M]+ 236.14337 153.1
[M]- 236.14447 153.1
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.