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

33
Patents

149.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 132.7
[M+Na]+ 172.08451 143.1
[M-H]- 148.08801 133.3
[M+NH4]+ 167.12911 151.1
[M+K]+ 188.05845 141.5
[M+H-H2O]+ 132.09255 119.2
[M+HCOO]- 194.09349 150.4
[M+CH3COO]- 208.10914 188.7
[M+Na-2H]- 170.06996 138.3
[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