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]+ 252.98325 133.0
[M+Na]+ 274.96519 136.2
[M-H]- 250.96869 127.8
[M+NH4]+ 270.00979 149.2
[M+K]+ 290.93913 141.1
[M+H-H2O]+ 234.97323 123.2
[M+HCOO]- 296.97417 151.7
[M+CH3COO]- 310.98982 183.8
[M+Na-2H]- 272.95064 126.8
[M]+ 251.97542 133.3
[M]- 251.97652 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.