CID 68584944

1-cyclopropyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC1N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,10,11)
InChIKey
AUPHADTZIOYAMZ-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 133.7
[M+Na]+ 175.04780 144.3
[M-H]- 151.05130 137.8
[M+NH4]+ 170.09240 148.4
[M+K]+ 191.02174 140.9
[M+H-H2O]+ 135.05584 126.6
[M+HCOO]- 197.05678 155.5
[M+CH3COO]- 211.07243 175.5
[M+Na-2H]- 173.03325 138.2
[M]+ 152.05803 135.7
[M]- 152.05913 135.7
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