CID 43141356

1152548-17-8

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)C1=NN(C=C1C(=O)O)C(C)(C)C
InChI
InChI=1S/C12H20N2O2/c1-11(2,3)9-8(10(15)16)7-14(13-9)12(4,5)6/h7H,1-6H3,(H,15,16)
InChIKey
MHSIHRZPQNUXAH-UHFFFAOYSA-N
Compound name
1,3-ditert-butylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 153.4
[M+Na]+ 247.14170 162.5
[M+NH4]+ 242.18630 158.7
[M+K]+ 263.11564 161.6
[M-H]- 223.14520 150.9
[M+Na-2H]- 245.12715 156.0
[M]+ 224.15193 153.8
[M]- 224.15303 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

No patent data available for this compound.