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: 31
Patents: 213.97418 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.98146	142.1
[M+Na]+	236.96340	144.3
[M+NH4]+	232.00800	146.7
[M+K]+	252.93734	145.9
[M-H]-	212.96690	141.0
[M+Na-2H]-	234.94885	143.0
[M]+	213.97363	140.6
[M]-	213.97473	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe