CID 91811758

1379314-67-6

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CC(C)(C)C1=NN2C=CN=C(C2=C1)Cl
InChI
InChI=1S/C10H12ClN3/c1-10(2,3)8-6-7-9(11)12-4-5-14(7)13-8/h4-6H,1-3H3
InChIKey
UJWAZKGBPRUMEJ-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-chloropyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079256 145.8
[M+Na]+ 232.061198 158.4
[M-H]- 208.064704 147.2
[M+NH4]+ 227.105803 165.2
[M+K]+ 248.035138 153.6
[M+H-H2O]+ 192.069240 138.8
[M+HCOO]- 254.070181 161.7
[M+CH3COO]- 268.085831 185.5
[M+Na-2H]- 230.046646 153.4
[M]+ 209.07143142 150.5
[M]- 209.07252858 150.5
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.