CID 3018775

Schembl10969443

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(=O)C(=CN(C)C)C1=CC=NC=C1
InChI
InChI=1S/C11H14N2O/c1-9(14)11(8-13(2)3)10-4-6-12-7-5-10/h4-8H,1-3H3
InChIKey
QEJJLSDONYSIPV-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-pyridin-4-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

190.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.7
[M+Na]+ 213.099828 148.8
[M-H]- 189.103334 146.2
[M+NH4]+ 208.144433 161.1
[M+K]+ 229.073768 147.8
[M+H-H2O]+ 173.107870 135.4
[M+HCOO]- 235.108811 165.6
[M+CH3COO]- 249.124461 189.6
[M+Na-2H]- 211.085276 147.2
[M]+ 190.11006142 143.1
[M]- 190.11115858 143.1
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

patents stripe