CID 13334057

3-iodo-1-methyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
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

literature stripe

Patent stripe

patents stripe