CID 134540668

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

Structural Information

Molecular Formula
C5H7IN2O
SMILES
CN1C=C(C(=N1)OC)I
InChI
InChI=1S/C5H7IN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3
InChIKey
AIDXGISQQWFIIP-UHFFFAOYSA-N
Compound name
4-iodo-3-methoxy-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

237.96031 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96759 128.1
[M+Na]+ 260.94953 131.7
[M-H]- 236.95303 123.1
[M+NH4]+ 255.99413 144.9
[M+K]+ 276.92347 136.9
[M+H-H2O]+ 220.95757 118.5
[M+HCOO]- 282.95851 147.1
[M+CH3COO]- 296.97416 181.0
[M+Na-2H]- 258.93498 122.5
[M]+ 237.95976 128.1
[M]- 237.96086 128.1
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