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]+ 188.081826 138.0
[M+Na]+ 210.063768 147.6
[M-H]- 186.067274 142.4
[M+NH4]+ 205.108373 156.4
[M+K]+ 226.037708 144.0
[M+H-H2O]+ 170.071810 129.9
[M+HCOO]- 232.072751 162.8
[M+CH3COO]- 246.088401 182.9
[M+Na-2H]- 208.049216 143.7
[M]+ 187.07400142 137.3
[M]- 187.07509858 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