CID 79788415

1528726-72-8

Structural Information

Molecular Formula
C8H11IN2O
SMILES
C1CC(OC1)CN2C=CC(=N2)I
InChI
InChI=1S/C8H11IN2O/c9-8-3-4-11(10-8)6-7-2-1-5-12-7/h3-4,7H,1-2,5-6H2
InChIKey
CEXRRRKOMPAEMY-UHFFFAOYSA-N
Compound name
3-iodo-1-(oxolan-2-ylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9916 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.998876 139.8
[M+Na]+ 300.980818 140.5
[M-H]- 276.984324 137.2
[M+NH4]+ 296.025423 154.6
[M+K]+ 316.954758 145.8
[M+H-H2O]+ 260.988860 129.2
[M+HCOO]- 322.989801 156.3
[M+CH3COO]- 337.005451 185.1
[M+Na-2H]- 298.966266 131.8
[M]+ 277.99105142 136.5
[M]- 277.99214858 136.5
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

No patent data available for this compound.