CID 72214585

3-bromo-6,7-dihydro-4h-pyrazolo[5,1-c][1,4]oxazine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1COCC2=C(C=NN21)Br
InChI
InChI=1S/C6H7BrN2O/c7-5-3-8-9-1-2-10-4-6(5)9/h3H,1-2,4H2
InChIKey
VUYWLEYGTFTTMN-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.97418 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 137.7
[M+Na]+ 224.96340 140.6
[M+NH4]+ 220.00800 142.9
[M+K]+ 240.93734 142.4
[M-H]- 200.96690 138.4
[M+Na-2H]- 222.94885 139.4
[M]+ 201.97363 137.0
[M]- 201.97473 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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