CID 13334065

5-iodo-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5IN2
SMILES
CN1C(=CC=N1)I
InChI
InChI=1S/C4H5IN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
InChIKey
RJYWUQWCLZYCTI-UHFFFAOYSA-N
Compound name
5-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

207.94975 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.957026 119.9
[M+Na]+ 230.938968 123.1
[M-H]- 206.942474 114.6
[M+NH4]+ 225.983573 137.6
[M+K]+ 246.912908 128.1
[M+H-H2O]+ 190.947010 110.3
[M+HCOO]- 252.947951 139.1
[M+CH3COO]- 266.963601 175.2
[M+Na-2H]- 228.924416 115.6
[M]+ 207.94920142 117.9
[M]- 207.95029858 117.9
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