CID 136912

3,5-di-tert-butyl-1h-pyrazole

Structural Information

Molecular Formula
C11H20N2
SMILES
CC(C)(C)C1=CC(=NN1)C(C)(C)C
InChI
InChI=1S/C11H20N2/c1-10(2,3)8-7-9(13-12-8)11(4,5)6/h7H,1-6H3,(H,12,13)
InChIKey
UEQDCVLVDQENIN-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

368
Patents

180.16264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 144.5
[M+Na]+ 203.15186 154.7
[M+NH4]+ 198.19646 151.7
[M+K]+ 219.12580 152.0
[M-H]- 179.15536 143.5
[M+Na-2H]- 201.13731 149.0
[M]+ 180.16209 145.7
[M]- 180.16319 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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