CID 45588339

1186405-06-0

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CN(C)C1=NC(=C(C=C1)C=O)Cl
InChI
InChI=1S/C8H9ClN2O/c1-11(2)7-4-3-6(5-12)8(9)10-7/h3-5H,1-2H3
InChIKey
WVXSYLMEMVHULX-UHFFFAOYSA-N
Compound name
2-chloro-6-(dimethylamino)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 134.9
[M+Na]+ 207.029558 144.9
[M-H]- 183.033064 139.1
[M+NH4]+ 202.074163 155.1
[M+K]+ 223.003498 142.4
[M+H-H2O]+ 167.037600 129.0
[M+HCOO]- 229.038541 155.8
[M+CH3COO]- 243.054191 186.5
[M+Na-2H]- 205.015006 141.4
[M]+ 184.03979142 138.9
[M]- 184.04088858 138.9
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.