CID 45496301

1238343-38-8

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C2=C(NN=C2N)C(=O)O
InChI
InChI=1S/C10H9N3O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h1-5H,(H,14,15)(H3,11,12,13)
InChIKey
NSSYNYUJSLLDSU-UHFFFAOYSA-N
Compound name
3-amino-4-phenyl-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 142.3
[M+Na]+ 226.05869 150.5
[M-H]- 202.06219 144.1
[M+NH4]+ 221.10329 158.4
[M+K]+ 242.03263 146.3
[M+H-H2O]+ 186.06673 134.7
[M+HCOO]- 248.06767 163.2
[M+CH3COO]- 262.08332 181.1
[M+Na-2H]- 224.04414 145.9
[M]+ 203.06892 138.7
[M]- 203.07002 138.7
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