CID 16108973

166196-84-5

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CN(C)/C=C/C(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C10H11ClN2O/c1-13(2)7-5-9(14)8-4-3-6-12-10(8)11/h3-7H,1-2H3/b7-5+
InChIKey
VJWLVZNRISQMLV-FNORWQNLSA-N
Compound name
(E)-1-(2-chloro-3-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

210.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 143.6
[M+Na]+ 233.045198 152.0
[M-H]- 209.048704 147.2
[M+NH4]+ 228.089803 162.4
[M+K]+ 249.019138 148.8
[M+H-H2O]+ 193.053240 137.3
[M+HCOO]- 255.054181 163.2
[M+CH3COO]- 269.069831 190.6
[M+Na-2H]- 231.030646 148.6
[M]+ 210.05543142 146.6
[M]- 210.05652858 146.6
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