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

22
Patents

249.96031 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96759 127.9
[M+Na]+ 272.94953 129.7
[M-H]- 248.95303 123.2
[M+NH4]+ 267.99413 143.3
[M+K]+ 288.92347 135.0
[M+H-H2O]+ 232.95757 117.9
[M+HCOO]- 294.95851 142.9
[M+CH3COO]- 308.97416 137.6
[M+Na-2H]- 270.93498 124.3
[M]+ 249.95976 124.5
[M]- 249.96086 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