CID 165572411

1,3-dicyclopropyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CC1C2=NN(C(=C2)C(=O)O)C3CC3
InChI
InChI=1S/C10H12N2O2/c13-10(14)9-5-8(6-1-2-6)11-12(9)7-3-4-7/h5-7H,1-4H2,(H,13,14)
InChIKey
ADPNDYMDVSXXPB-UHFFFAOYSA-N
Compound name
2,5-dicyclopropylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 155.2
[M+Na]+ 215.07909 164.0
[M-H]- 191.08259 161.5
[M+NH4]+ 210.12369 162.1
[M+K]+ 231.05303 159.9
[M+H-H2O]+ 175.08713 148.6
[M+HCOO]- 237.08807 173.4
[M+CH3COO]- 251.10372 193.4
[M+Na-2H]- 213.06454 155.6
[M]+ 192.08932 158.4
[M]- 192.09042 158.4
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

No patent data available for this compound.