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

322
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

literature stripe

Patent stripe

patents stripe