CID 434

Pseudooxynicotine

Structural Information

Molecular Formula
C10H14N2O
SMILES
CNCCCC(=O)C1=CN=CC=C1
InChI
InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3
InChIKey
SGDIDUFQYHRMPR-UHFFFAOYSA-N
Compound name
4-(methylamino)-1-pyridin-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

341
Patents

178.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 145.5
[M-H]- 177.10333 141.2
[M+NH4]+ 196.14443 157.6
[M+K]+ 217.07377 143.5
[M+H-H2O]+ 161.10787 132.1
[M+HCOO]- 223.10881 162.8
[M+CH3COO]- 237.12446 183.8
[M+Na-2H]- 199.08528 146.2
[M]+ 178.11006 139.5
[M]- 178.11116 139.5
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.