CID 53401030

2-amino-6-methylnicotinaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=NC(=C(C=C1)C=O)N
InChI
InChI=1S/C7H8N2O/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3,(H2,8,9)
InChIKey
RPFQGCDZCNDOIO-UHFFFAOYSA-N
Compound name
2-amino-6-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

136.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.2
[M+Na]+ 159.052878 134.8
[M-H]- 135.056384 127.8
[M+NH4]+ 154.097483 145.6
[M+K]+ 175.026818 132.8
[M+H-H2O]+ 119.060920 119.1
[M+HCOO]- 181.061861 150.0
[M+CH3COO]- 195.077511 175.4
[M+Na-2H]- 157.038326 132.4
[M]+ 136.06311142 124.6
[M]- 136.06420858 124.6
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