CID 19620658

1006471-31-3

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CN(N=C1)CC=O
InChI
InChI=1S/C6H8N2O/c1-6-4-7-8(5-6)2-3-9/h3-5H,2H2,1H3
InChIKey
PNQXDIWFZFBVJL-UHFFFAOYSA-N
Compound name
2-(4-methylpyrazol-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

124.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.3
[M+Na]+ 147.052878 132.2
[M-H]- 123.056384 123.7
[M+NH4]+ 142.097483 144.0
[M+K]+ 163.026818 131.2
[M+H-H2O]+ 107.060920 115.8
[M+HCOO]- 169.061861 146.4
[M+CH3COO]- 183.077511 170.0
[M+Na-2H]- 145.038326 129.0
[M]+ 124.06311142 124.0
[M]- 124.06420858 124.0
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