CID 13047015

2-phenyl-2-(1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CC=C(C=C1)C(C(=O)O)N2C=CC=N2
InChI
InChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15)
InChIKey
AMAPMVWSJNXHCG-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyrazol-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

202.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.6
[M+Na]+ 225.063448 149.6
[M-H]- 201.066954 145.5
[M+NH4]+ 220.108053 159.4
[M+K]+ 241.037388 147.0
[M+H-H2O]+ 185.071490 134.5
[M+HCOO]- 247.072431 163.3
[M+CH3COO]- 261.088081 180.6
[M+Na-2H]- 223.048896 146.9
[M]+ 202.07368142 141.5
[M]- 202.07477858 141.5
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