CID 736515

1,3,5-trimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(C(=NN1C)C)C=O
InChI
InChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
InChIKey
HMTUBXVXHHITGO-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

138.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 128.1
[M+Na]+ 161.06854 140.7
[M+NH4]+ 156.11314 135.8
[M+K]+ 177.04248 136.9
[M-H]- 137.07204 128.3
[M+Na-2H]- 159.05399 133.3
[M]+ 138.07877 129.8
[M]- 138.07987 129.8
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

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