CID 72214585

1393558-10-5

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

35
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 133.8
[M+Na]+ 224.96340 146.1
[M-H]- 200.96690 139.0
[M+NH4]+ 220.00800 155.6
[M+K]+ 240.93734 137.5
[M+H-H2O]+ 184.97144 133.8
[M+HCOO]- 246.97238 151.8
[M+CH3COO]- 260.98803 149.3
[M+Na-2H]- 222.94885 143.0
[M]+ 201.97363 151.6
[M]- 201.97473 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe