CID 67004784

4-iodo-3-methoxy-1h-pyrazole

Structural Information

Molecular Formula
C4H5IN2O
SMILES
COC1=C(C=NN1)I
InChI
InChI=1S/C4H5IN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChIKey
AKAILQXICKUNET-UHFFFAOYSA-N
Compound name
4-iodo-5-methoxy-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

223.94466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.951936 126.2
[M+Na]+ 246.933878 128.9
[M-H]- 222.937384 119.6
[M+NH4]+ 241.978483 142.5
[M+K]+ 262.907818 133.4
[M+H-H2O]+ 206.941920 116.6
[M+HCOO]- 268.942861 144.1
[M+CH3COO]- 282.958511 174.5
[M+Na-2H]- 244.919326 121.1
[M]+ 223.94411142 123.6
[M]- 223.94520858 123.6
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