CID 124155298

1383675-85-1

Structural Information

Molecular Formula
C6H7IN2O
SMILES
C1CN2C(=C(C=N2)I)OC1
InChI
InChI=1S/C6H7IN2O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3H2
InChIKey
CNCJBYRIUZKDON-UHFFFAOYSA-N
Compound name
3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

249.96031 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.967586 127.9
[M+Na]+ 272.949528 129.7
[M-H]- 248.953034 123.2
[M+NH4]+ 267.994133 143.3
[M+K]+ 288.923468 135.0
[M+H-H2O]+ 232.957570 117.9
[M+HCOO]- 294.958511 142.9
[M+CH3COO]- 308.974161 137.6
[M+Na-2H]- 270.934976 124.3
[M]+ 249.95976142 124.5
[M]- 249.96085858 124.5
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