CID 130977439

1851197-50-6

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

CC1(CN2C=C(C=C2C(=O)N1)Br)C

InChI

InChI=1S/C9H11BrN2O/c1-9(2)5-12-4-6(10)3-7(12)8(13)11-9/h3-4H,5H2,1-2H3,(H,11,13)

InChIKey

BDPPKOKTVGYHKV-UHFFFAOYSA-N

Compound name

7-bromo-3,3-dimethyl-2,4-dihydropyrrolo[1,2-a]pyrazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.00548 Da
Monoisotopic Mass: 1.3
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]+	243.012756	144.3
[M+Na]+	264.994698	157.8
[M-H]-	240.998204	148.3
[M+NH4]+	260.039303	167.6
[M+K]+	280.968638	146.1
[M+H-H2O]+	225.002740	145.2
[M+HCOO]-	287.003681	161.0
[M+CH3COO]-	301.019331	186.6
[M+Na-2H]-	262.980146	150.8
[M]+	242.00493142	161.3
[M]-	242.00602858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.