CID 61732971

1248947-94-5

Structural Information

Molecular Formula
C8H8IN3O
SMILES
C1=COC(=C1)CN2C(=C(C=N2)I)N
InChI
InChI=1S/C8H8IN3O/c9-7-4-11-12(8(7)10)5-6-2-1-3-13-6/h1-4H,5,10H2
InChIKey
LMDYCVCAXVMIFW-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)-4-iodopyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.97122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.97850 144.4
[M+Na]+ 311.96044 148.0
[M-H]- 287.96394 142.9
[M+NH4]+ 307.00504 158.7
[M+K]+ 327.93438 152.1
[M+H-H2O]+ 271.96848 133.6
[M+HCOO]- 333.96942 165.3
[M+CH3COO]- 347.98507 154.6
[M+Na-2H]- 309.94589 137.8
[M]+ 288.97067 143.9
[M]- 288.97177 143.9
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.