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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 151.1
[M+Na]+ 264.99470 153.2
[M+NH4]+ 260.03930 156.6
[M+K]+ 280.96864 153.2
[M-H]- 240.99820 150.0
[M+Na-2H]- 262.98015 152.6
[M]+ 242.00493 149.8
[M]- 242.00603 149.8
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.