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

28
Patents

223.94466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95194 126.2
[M+Na]+ 246.93388 128.9
[M-H]- 222.93738 119.6
[M+NH4]+ 241.97848 142.5
[M+K]+ 262.90782 133.4
[M+H-H2O]+ 206.94192 116.6
[M+HCOO]- 268.94286 144.1
[M+CH3COO]- 282.95851 174.5
[M+Na-2H]- 244.91933 121.1
[M]+ 223.94411 123.6
[M]- 223.94521 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