CID 206164

43024-26-6

Structural Information

Molecular Formula
C8H8IN3
SMILES
CC1=CC(=NC2=C(C=NN12)I)C
InChI
InChI=1S/C8H8IN3/c1-5-3-6(2)12-8(11-5)7(9)4-10-12/h3-4H,1-2H3
InChIKey
PXXQWKMEJGDPRJ-UHFFFAOYSA-N
Compound name
3-iodo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

272.9763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.983576 131.6
[M+Na]+ 295.965518 137.4
[M-H]- 271.969024 126.5
[M+NH4]+ 291.010123 147.1
[M+K]+ 311.939458 140.0
[M+H-H2O]+ 255.973560 121.1
[M+HCOO]- 317.974501 149.6
[M+CH3COO]- 331.990151 142.3
[M+Na-2H]- 293.950966 128.1
[M]+ 272.97575142 132.4
[M]- 272.97684858 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe