CID 10953684

149139-43-5

Structural Information

Molecular Formula
C8H11N3
SMILES
CC(C)(C)N1C=C(C=N1)C#N
InChI
InChI=1S/C8H11N3/c1-8(2,3)11-6-7(4-9)5-10-11/h5-6H,1-3H3
InChIKey
MPAMGIZXDRTXEW-UHFFFAOYSA-N
Compound name
1-tert-butylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

149.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 132.7
[M+Na]+ 172.084508 143.1
[M-H]- 148.088014 133.3
[M+NH4]+ 167.129113 151.1
[M+K]+ 188.058448 141.5
[M+H-H2O]+ 132.092550 119.2
[M+HCOO]- 194.093491 150.4
[M+CH3COO]- 208.109141 188.7
[M+Na-2H]- 170.069956 138.3
[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