CID 12332515

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

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C(=C(C=N1)C=O)N
InChI
InChI=1S/C5H7N3O/c1-8-5(6)4(3-9)2-7-8/h2-3H,6H2,1H3
InChIKey
NDGIYFSWJGZTRC-UHFFFAOYSA-N
Compound name
5-amino-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

125.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.1
[M+Na]+ 148.04813 132.5
[M-H]- 124.05164 123.5
[M+NH4]+ 143.09274 143.4
[M+K]+ 164.02207 131.1
[M+H-H2O]+ 108.05617 115.6
[M+HCOO]- 170.05712 147.0
[M+CH3COO]- 184.07276 172.2
[M+Na-2H]- 146.03358 128.0
[M]+ 125.05837 122.0
[M]- 125.05946 122.0
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