CID 177789591

3-bromo-4-methyl-4h,6h,7h-pyrazolo[3,2-c][1,4]oxazine

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
CC1C2=C(C=NN2CCO1)Br
InChI
InChI=1S/C7H9BrN2O/c1-5-7-6(8)4-9-10(7)2-3-11-5/h4-5H,2-3H2,1H3
InChIKey
AODVIVOIMBNZRM-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98982 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 138.6
[M+Na]+ 238.97904 151.3
[M-H]- 214.98254 143.9
[M+NH4]+ 234.02364 160.1
[M+K]+ 254.95298 142.4
[M+H-H2O]+ 198.98708 138.6
[M+HCOO]- 260.98802 156.2
[M+CH3COO]- 275.00367 153.9
[M+Na-2H]- 236.96449 146.4
[M]+ 215.98927 157.0
[M]- 215.99037 157.0
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

No patent data available for this compound.