CID 4373408

56795-90-5

Structural Information

Molecular Formula
C10H10ClN3O3
SMILES
CN(C)C=C(C=O)C1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C10H10ClN3O3/c1-13(2)5-7(6-15)8-3-10(11)12-4-9(8)14(16)17/h3-6H,1-2H3
InChIKey
PCWXJQLUHHOJBV-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-nitropyridin-4-yl)-3-(dimethylamino)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04834 151.1
[M+Na]+ 278.03028 163.9
[M+NH4]+ 273.07488 157.8
[M+K]+ 294.00422 161.0
[M-H]- 254.03378 153.5
[M+Na-2H]- 276.01573 156.5
[M]+ 255.04051 153.5
[M]- 255.04161 153.5
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.