CID 573203

1-ethyl-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O
SMILES
CCN1C=C(C(=N1)C)C=O
InChI
InChI=1S/C7H10N2O/c1-3-9-4-7(5-10)6(2)8-9/h4-5H,3H2,1-2H3
InChIKey
KHIVHAYYUUFWPH-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

138.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.4
[M+Na]+ 161.068538 136.9
[M-H]- 137.072044 128.0
[M+NH4]+ 156.113143 147.9
[M+K]+ 177.042478 135.5
[M+H-H2O]+ 121.076580 120.1
[M+HCOO]- 183.077521 150.2
[M+CH3COO]- 197.093171 174.2
[M+Na-2H]- 159.053986 131.9
[M]+ 138.07877142 128.9
[M]- 138.07986858 128.9
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