CID 2734773

1-methyl-4-iodo-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1321
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

literature stripe

Patent stripe

patents stripe