CID 79787723

3-iodo-1-pentyl-1h-pyrazole

Structural Information

Molecular Formula
C8H13IN2
SMILES
CCCCCN1C=CC(=N1)I
InChI
InChI=1S/C8H13IN2/c1-2-3-4-6-11-7-5-8(9)10-11/h5,7H,2-4,6H2,1H3
InChIKey
WEGVEZPAVZHBND-UHFFFAOYSA-N
Compound name
3-iodo-1-pentylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01236 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01964 139.4
[M+Na]+ 287.00158 140.9
[M-H]- 263.00508 133.4
[M+NH4]+ 282.04618 154.9
[M+K]+ 302.97552 144.9
[M+H-H2O]+ 247.00962 128.9
[M+HCOO]- 309.01056 157.2
[M+CH3COO]- 323.02621 186.6
[M+Na-2H]- 284.98703 132.8
[M]+ 264.01181 138.7
[M]- 264.01291 138.7
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.