CID 130906022

1841360-64-2

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C[C@@H]1CN2C=C(C=C2C(=O)N1)Br
InChI
InChI=1S/C8H9BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2,4-5H,3H2,1H3,(H,10,12)/t5-/m1/s1
InChIKey
FMJONEXBHAKWEV-RXMQYKEDSA-N
Compound name
(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.98982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 146.2
[M+Na]+ 250.97904 148.5
[M+NH4]+ 246.02364 150.6
[M+K]+ 266.95298 150.1
[M-H]- 226.98254 145.1
[M+Na-2H]- 248.96449 146.7
[M]+ 227.98927 144.8
[M]- 227.99037 144.8
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

No patent data available for this compound.