CID 422759

Nsc147110

Structural Information

Molecular Formula
C9H16NO
SMILES
C[N+]12CC3C1CCC2CC3O
InChI
InChI=1S/C9H16NO/c1-10-5-7-8(10)3-2-6(10)4-9(7)11/h6-9,11H,2-5H2,1H3/q+1
InChIKey
JNFUZZXXXZMRGI-UHFFFAOYSA-N
Compound name
1-methyl-1-azoniatricyclo[4.3.0.03,9]nonan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12318 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.13046 134.5
[M+Na]+ 177.11240 140.2
[M-H]- 153.11590 133.9
[M+NH4]+ 172.15700 155.4
[M+K]+ 193.08634 135.1
[M+H-H2O]+ 137.12044 128.6
[M+HCOO]- 199.12138 146.0
[M+CH3COO]- 213.13703 176.5
[M+Na-2H]- 175.09785 144.7
[M]+ 154.12263 141.9
[M]- 154.12373 141.9
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.