CID 20718560

1,4-dimethyl-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CN(N=C1C=O)C
InChI
InChI=1S/C6H8N2O/c1-5-3-8(2)7-6(5)4-9/h3-4H,1-2H3
InChIKey
LKBYTIDNKQGSAN-UHFFFAOYSA-N
Compound name
1,4-dimethylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

124.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.8
[M+Na]+ 147.05288 132.6
[M-H]- 123.05638 123.5
[M+NH4]+ 142.09748 143.8
[M+K]+ 163.02682 131.5
[M+H-H2O]+ 107.06092 115.6
[M+HCOO]- 169.06186 145.9
[M+CH3COO]- 183.07751 171.2
[M+Na-2H]- 145.03833 127.8
[M]+ 124.06311 123.8
[M]- 124.06421 123.9
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

patents stripe