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]+ 225.159756 153.5
[M+Na]+ 247.141698 162.0
[M-H]- 223.145204 153.9
[M+NH4]+ 242.186303 171.1
[M+K]+ 263.115638 160.4
[M+H-H2O]+ 207.149740 148.2
[M+HCOO]- 269.150681 170.2
[M+CH3COO]- 283.166331 189.0
[M+Na-2H]- 245.127146 156.7
[M]+ 224.15193142 155.6
[M]- 224.15302858 155.6
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.