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

86
Patents

149.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 134.4
[M+Na]+ 172.084508 144.4
[M-H]- 148.088014 133.9
[M+NH4]+ 167.129113 152.2
[M+K]+ 188.058448 142.1
[M+H-H2O]+ 132.092550 121.2
[M+HCOO]- 194.093491 150.8
[M+CH3COO]- 208.109141 186.2
[M+Na-2H]- 170.069956 139.5
[M]+ 149.09474142 128.3
[M]- 149.09583858 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