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 148.0
[M+Na]+ 241.14372 163.2
[M+NH4]+ 236.18832 161.0
[M+K]+ 257.11766 153.5
[M-H]- 217.14722 152.6
[M+Na-2H]- 239.12917 155.1
[M]+ 218.15395 152.1
[M]- 218.15505 152.1
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.