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
1,3-dicyclopropylpyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 155.2
[M+Na]+ 215.079088 164.0
[M-H]- 191.082594 161.5
[M+NH4]+ 210.123693 162.1
[M+K]+ 231.053028 159.9
[M+H-H2O]+ 175.087130 148.6
[M+HCOO]- 237.088071 173.4
[M+CH3COO]- 251.103721 193.4
[M+Na-2H]- 213.064536 155.6
[M]+ 192.08932142 158.4
[M]- 192.09041858 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

patents stripe