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

182
Patents

207.94975 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95703 122.8
[M+Na]+ 230.93897 127.7
[M+NH4]+ 225.98357 127.2
[M+K]+ 246.91291 127.0
[M-H]- 206.94247 117.4
[M+Na-2H]- 228.92442 117.1
[M]+ 207.94920 120.8
[M]- 207.95030 120.8
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