CID 131285456

3-iodo-6-methyl-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine

Structural Information

Molecular Formula
C7H9IN2O
SMILES
CC1CN2C(=C(C=N2)I)OC1
InChI
InChI=1S/C7H9IN2O/c1-5-3-10-7(11-4-5)6(8)2-9-10/h2,5H,3-4H2,1H3
InChIKey
MDAOINGBFAZHRX-UHFFFAOYSA-N
Compound name
3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.97595 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98323 132.3
[M+Na]+ 286.96517 134.6
[M-H]- 262.96867 127.8
[M+NH4]+ 282.00977 147.6
[M+K]+ 302.93911 139.7
[M+H-H2O]+ 246.97321 122.4
[M+HCOO]- 308.97415 147.0
[M+CH3COO]- 322.98980 142.0
[M+Na-2H]- 284.95062 127.5
[M]+ 263.97540 129.6
[M]- 263.97650 129.6
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