CID 90257926

5-iodo-1-(2-methoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H9IN2O
SMILES
COCCN1C(=CC=N1)I
InChI
InChI=1S/C6H9IN2O/c1-10-5-4-9-6(7)2-3-8-9/h2-3H,4-5H2,1H3
InChIKey
LOZLWVOKGXGYAR-UHFFFAOYSA-N
Compound name
5-iodo-1-(2-methoxyethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.97597 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98325 135.9
[M+Na]+ 274.96519 139.9
[M+NH4]+ 270.00979 139.4
[M+K]+ 290.93913 139.2
[M-H]- 250.96869 129.9
[M+Na-2H]- 272.95064 129.0
[M]+ 251.97542 133.5
[M]- 251.97652 133.5
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