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 142.3
[M+Na]+ 250.97904 155.1
[M-H]- 226.98254 146.0
[M+NH4]+ 246.02364 164.0
[M+K]+ 266.95298 143.6
[M+H-H2O]+ 210.98708 142.4
[M+HCOO]- 272.98802 159.1
[M+CH3COO]- 287.00367 184.2
[M+Na-2H]- 248.96449 147.9
[M]+ 227.98927 158.4
[M]- 227.99037 158.4
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.