CID 12332516

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

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C=O)N
InChI
InChI=1S/C10H9N3O/c11-10-8(7-14)6-12-13(10)9-4-2-1-3-5-9/h1-7H,11H2
InChIKey
MTPJWTSHVKOZNW-UHFFFAOYSA-N
Compound name
5-amino-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

187.07455 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.0
[M+Na]+ 210.06377 147.6
[M-H]- 186.06727 142.4
[M+NH4]+ 205.10837 156.4
[M+K]+ 226.03771 144.0
[M+H-H2O]+ 170.07181 129.9
[M+HCOO]- 232.07275 162.8
[M+CH3COO]- 246.08840 182.9
[M+Na-2H]- 208.04922 143.7
[M]+ 187.07400 137.3
[M]- 187.07510 137.3
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