CID 81042210

1537119-04-2

Structural Information

Molecular Formula
C11H15N5
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=NC=CN=C2
InChI
InChI=1S/C11H15N5/c1-11(2,3)8-6-9(12)16(15-8)10-7-13-4-5-14-10/h4-7H,12H2,1-3H3
InChIKey
HZNKJZJUGIMMCH-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-pyrazin-2-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 151.8
[M+Na]+ 240.121968 161.3
[M-H]- 216.125474 153.6
[M+NH4]+ 235.166573 166.5
[M+K]+ 256.095908 157.5
[M+H-H2O]+ 200.130010 142.6
[M+HCOO]- 262.130951 171.4
[M+CH3COO]- 276.146601 190.2
[M+Na-2H]- 238.107416 157.4
[M]+ 217.13220142 151.1
[M]- 217.13329858 151.1
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

No patent data available for this compound.