CID 39869049

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 150.5
[M+Na]+ 231.110408 160.6
[M-H]- 207.113914 154.6
[M+NH4]+ 226.155013 163.5
[M+K]+ 247.084348 156.7
[M+H-H2O]+ 191.118450 144.0
[M+HCOO]- 253.119391 169.4
[M+CH3COO]- 267.135041 187.8
[M+Na-2H]- 229.095856 153.1
[M]+ 208.12064142 153.8
[M]- 208.12173858 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