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]+ 210.07926 145.8
[M+Na]+ 232.06120 158.4
[M-H]- 208.06470 147.2
[M+NH4]+ 227.10580 165.2
[M+K]+ 248.03514 153.6
[M+H-H2O]+ 192.06924 138.8
[M+HCOO]- 254.07018 161.7
[M+CH3COO]- 268.08583 185.5
[M+Na-2H]- 230.04665 153.4
[M]+ 209.07143 150.5
[M]- 209.07253 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.