CID 39870787

1-tert-butyl-3-cyclopropyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)13-9(10(14)15)6-8(12-13)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey
JXKYWJDTUICMIF-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-cyclopropylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 150.5
[M+Na]+ 231.11041 160.6
[M-H]- 207.11391 154.6
[M+NH4]+ 226.15501 163.5
[M+K]+ 247.08435 156.7
[M+H-H2O]+ 191.11845 144.0
[M+HCOO]- 253.11939 169.4
[M+CH3COO]- 267.13504 187.8
[M+Na-2H]- 229.09586 153.1
[M]+ 208.12064 153.8
[M]- 208.12174 153.8
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