CID 424091

101077-29-6

Structural Information

Molecular Formula
C14H20NO
SMILES
C[N+]12CCCC3=CC(=CC(=C31)CCC2)CO
InChI
InChI=1S/C14H20NO/c1-15-6-2-4-12-8-11(10-16)9-13(14(12)15)5-3-7-15/h8-9,16H,2-7,10H2,1H3/q+1
InChIKey
YGQMOXBMBPCKPM-UHFFFAOYSA-N
Compound name
(1-methyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1545 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16178 149.9
[M+Na]+ 241.14372 156.0
[M-H]- 217.14722 151.3
[M+NH4]+ 236.18832 170.6
[M+K]+ 257.11766 146.1
[M+H-H2O]+ 201.15176 145.6
[M+HCOO]- 263.15270 163.6
[M+CH3COO]- 277.16835 181.3
[M+Na-2H]- 239.12917 159.3
[M]+ 218.15395 144.7
[M]- 218.15505 144.7
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.