CID 139594572

Ns00014282

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CN(CC1=CN=C(C=C1)Cl)C=O
InChI
InChI=1S/C8H9ClN2O/c1-11(6-12)5-7-2-3-8(9)10-4-7/h2-4,6H,5H2,1H3
InChIKey
CNBRDCZVCDOUOX-UHFFFAOYSA-N
Compound name
N-[(6-chloro-3-pyridinyl)methyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 135.3
[M+Na]+ 207.029558 144.4
[M-H]- 183.033064 139.1
[M+NH4]+ 202.074163 155.2
[M+K]+ 223.003498 141.9
[M+H-H2O]+ 167.037600 129.1
[M+HCOO]- 229.038541 156.3
[M+CH3COO]- 243.054191 185.3
[M+Na-2H]- 205.015006 142.5
[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.