CID 60136640

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

Structural Information

Molecular Formula
C7H9IN2
SMILES
CN1C(=C(C=N1)I)C2CC2
InChI
InChI=1S/C7H9IN2/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3H2,1H3
InChIKey
QJZFZGGEGHGDEE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

247.98105 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.988326 134.7
[M+Na]+ 270.970268 139.6
[M-H]- 246.973774 133.4
[M+NH4]+ 266.014873 146.5
[M+K]+ 286.944208 141.9
[M+H-H2O]+ 230.978310 124.3
[M+HCOO]- 292.979251 153.3
[M+CH3COO]- 306.994901 186.5
[M+Na-2H]- 268.955716 128.7
[M]+ 247.98050142 134.9
[M]- 247.98159858 134.9
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