CID 60136644

4-iodo-1-isopropyl-5-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H11IN2
SMILES
CC1=C(C=NN1C(C)C)I
InChI
InChI=1S/C7H11IN2/c1-5(2)10-6(3)7(8)4-9-10/h4-5H,1-3H3
InChIKey
UWRMEIAPKOQNFE-UHFFFAOYSA-N
Compound name
4-iodo-5-methyl-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9967 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.003976 133.2
[M+Na]+ 272.985918 135.8
[M-H]- 248.989424 128.0
[M+NH4]+ 268.030523 149.5
[M+K]+ 288.959858 140.5
[M+H-H2O]+ 232.993960 123.5
[M+HCOO]- 294.994901 150.4
[M+CH3COO]- 309.010551 185.6
[M+Na-2H]- 270.971366 125.5
[M]+ 249.99615142 131.9
[M]- 249.99724858 131.9
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

No patent data available for this compound.