CID 21698292

6-methylpyridazine-3-carbaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=NN=C(C=C1)C=O
InChI
InChI=1S/C6H6N2O/c1-5-2-3-6(4-9)8-7-5/h2-4H,1H3
InChIKey
OPKGSXZJDAALJL-UHFFFAOYSA-N
Compound name
6-methylpyridazine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

122.04801 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 120.6
[M+Na]+ 145.03723 130.6
[M-H]- 121.04073 122.0
[M+NH4]+ 140.08183 140.6
[M+K]+ 161.01117 129.2
[M+H-H2O]+ 105.04527 114.0
[M+HCOO]- 167.04621 144.0
[M+CH3COO]- 181.06186 169.9
[M+Na-2H]- 143.02268 129.9
[M]+ 122.04746 121.6
[M]- 122.04856 121.6
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