CID 69883720

736990-40-2

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1CN2C=C(C=C2C(=O)N1)Br
InChI
InChI=1S/C7H7BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h3-4H,1-2H2,(H,9,11)
InChIKey
UIOJOBWZDXFHKG-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

213.97418 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 137.8
[M+Na]+ 236.963398 150.3
[M-H]- 212.966904 141.3
[M+NH4]+ 232.008003 159.8
[M+K]+ 252.937338 139.0
[M+H-H2O]+ 196.971440 138.0
[M+HCOO]- 258.972381 155.1
[M+CH3COO]- 272.988031 152.5
[M+Na-2H]- 234.948846 144.7
[M]+ 213.97363142 153.3
[M]- 213.97472858 153.3
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