CID 3078484

Sodium 5-phenyl-2-pyrazoline-1-carboxylate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1C=NN(C1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H10N2O2/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,13,14)
InChIKey
NFZHBSCUXMSPHX-UHFFFAOYSA-N
Compound name
3-phenyl-3,4-dihydropyrazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 140.8
[M+Na]+ 213.06345 152.7
[M+NH4]+ 208.10805 148.2
[M+K]+ 229.03739 149.3
[M-H]- 189.06695 142.3
[M+Na-2H]- 211.04890 147.6
[M]+ 190.07368 142.7
[M]- 190.07478 142.7
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