CID 572611

Einecs 266-616-9

Structural Information

Molecular Formula
C7H8N2O
SMILES
CN(C=O)C1=CC=CC=N1
InChI
InChI=1S/C7H8N2O/c1-9(6-10)7-4-2-3-5-8-7/h2-6H,1H3
InChIKey
DIRVEOCOAHGVJV-UHFFFAOYSA-N
Compound name
N-methyl-N-pyridin-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

503
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.8
[M+Na]+ 159.052878 132.7
[M-H]- 135.056384 128.7
[M+NH4]+ 154.097483 145.5
[M+K]+ 175.026818 132.4
[M+H-H2O]+ 119.060920 118.0
[M+HCOO]- 181.061861 150.8
[M+CH3COO]- 195.077511 177.3
[M+Na-2H]- 157.038326 133.8
[M]+ 136.06311142 125.8
[M]- 136.06420858 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe