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

271
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 119.9
[M+Na]+ 230.93897 123.1
[M-H]- 206.94247 114.6
[M+NH4]+ 225.98357 137.6
[M+K]+ 246.91291 128.1
[M+H-H2O]+ 190.94701 110.3
[M+HCOO]- 252.94795 139.1
[M+CH3COO]- 266.96360 175.2
[M+Na-2H]- 228.92442 115.6
[M]+ 207.94920 117.9
[M]- 207.95030 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