CID 58093570

1254713-47-7

Structural Information

Molecular Formula
C8H11N3
SMILES
CC(C)(C)C1=CC(=NN1)C#N
InChI
InChI=1S/C8H11N3/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,1-3H3,(H,10,11)
InChIKey
IADPOTOXWBEFEP-UHFFFAOYSA-N
Compound name
5-tert-butyl-1H-pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

149.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 134.4
[M+Na]+ 172.08451 144.4
[M-H]- 148.08801 133.9
[M+NH4]+ 167.12911 152.2
[M+K]+ 188.05845 142.1
[M+H-H2O]+ 132.09255 121.2
[M+HCOO]- 194.09349 150.8
[M+CH3COO]- 208.10914 186.2
[M+Na-2H]- 170.06996 139.5
[M]+ 149.09474 128.3
[M]- 149.09584 128.3
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