CID 122170948

4-iodo-5-(methoxymethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9IN2O
SMILES
CN1C(=C(C=N1)I)COC
InChI
InChI=1S/C6H9IN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3
InChIKey
MPJJWZDFKQWXFJ-UHFFFAOYSA-N
Compound name
4-iodo-5-(methoxymethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97597 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.983246 133.0
[M+Na]+ 274.965188 136.2
[M-H]- 250.968694 127.8
[M+NH4]+ 270.009793 149.2
[M+K]+ 290.939128 141.1
[M+H-H2O]+ 234.973230 123.2
[M+HCOO]- 296.974171 151.7
[M+CH3COO]- 310.989821 183.8
[M+Na-2H]- 272.950636 126.8
[M]+ 251.97542142 133.3
[M]- 251.97651858 133.3
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

No patent data available for this compound.