CID 424097

1-hydroxy-9-methoxyjulolidine methiodide

Structural Information

Molecular Formula
C14H20NO2
SMILES
C[N+]12CCCC3=C1C(=CC(=C3)OC)C(CC2)O
InChI
InChI=1S/C14H20NO2/c1-15-6-3-4-10-8-11(17-2)9-12(14(10)15)13(16)5-7-15/h8-9,13,16H,3-7H2,1-2H3/q+1
InChIKey
VRVPCLQZKMXFRQ-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15668 153.1
[M+Na]+ 257.13862 159.9
[M-H]- 233.14212 154.8
[M+NH4]+ 252.18322 173.3
[M+K]+ 273.11256 150.7
[M+H-H2O]+ 217.14666 148.9
[M+HCOO]- 279.14760 166.9
[M+CH3COO]- 293.16325 184.5
[M+Na-2H]- 255.12407 162.0
[M]+ 234.14885 149.6
[M]- 234.14995 149.6
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.