CID 15687151

3-amino-5-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=C(C(=NN1)N)C=O
InChI
InChI=1S/C5H7N3O/c1-3-4(2-9)5(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKey
CMNZLSJXNCMUCN-UHFFFAOYSA-N
Compound name
3-amino-5-methyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.058914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.5
[M+Na]+ 148.04813 133.9
[M+NH4]+ 143.09274 130.5
[M+K]+ 164.02207 131.4
[M-H]- 124.05164 123.2
[M+Na-2H]- 146.03358 128.0
[M]+ 125.05837 124.5
[M]- 125.05946 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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