CID 137131950

3-iodo-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H8IN3
SMILES
C1CNC2=C(C=NN2C1)I
InChI
InChI=1S/C6H8IN3/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3H2
InChIKey
VBPMBLKWANECPJ-UHFFFAOYSA-N
Compound name
3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

248.97629 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98357 127.7
[M+Na]+ 271.96551 129.1
[M-H]- 247.96901 119.8
[M+NH4]+ 267.01011 142.5
[M+K]+ 287.93945 132.2
[M+H-H2O]+ 231.97355 117.0
[M+HCOO]- 293.97449 140.8
[M+CH3COO]- 307.99014 136.2
[M+Na-2H]- 269.95096 123.1
[M]+ 248.97574 121.3
[M]- 248.97684 121.3
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