CID 162394029

7-bromo-3-methyl-2,3-dihydropyrazolo[5,1-b]oxazole

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1COC2=C(C=NN12)Br
InChI
InChI=1S/C6H7BrN2O/c1-4-3-10-6-5(7)2-8-9(4)6/h2,4H,3H2,1H3
InChIKey
CWWBIAYLVMJDGI-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.97418 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 135.8
[M+Na]+ 224.96340 150.0
[M-H]- 200.96690 141.8
[M+NH4]+ 220.00800 159.7
[M+K]+ 240.93734 141.6
[M+H-H2O]+ 184.97144 136.4
[M+HCOO]- 246.97238 155.9
[M+CH3COO]- 260.98803 152.2
[M+Na-2H]- 222.94885 142.6
[M]+ 201.97363 155.8
[M]- 201.97473 155.8
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