CID 83382815

Schembl26389417

Structural Information

Molecular Formula
C6H7IN2
SMILES
C1CC1N2C(=CC=N2)I
InChI
InChI=1S/C6H7IN2/c7-6-3-4-8-9(6)5-1-2-5/h3-5H,1-2H2
InChIKey
HLJZCTPCIZJVKV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.9654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97268 131.1
[M+Na]+ 256.95462 135.5
[M-H]- 232.95812 129.5
[M+NH4]+ 251.99922 143.1
[M+K]+ 272.92856 138.2
[M+H-H2O]+ 216.96266 120.5
[M+HCOO]- 278.96360 150.0
[M+CH3COO]- 292.97925 141.2
[M+Na-2H]- 254.94007 126.2
[M]+ 233.96485 130.6
[M]- 233.96595 130.6
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.