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 144.3
[M+Na]+ 264.99470 157.8
[M-H]- 240.99820 148.3
[M+NH4]+ 260.03930 167.6
[M+K]+ 280.96864 146.1
[M+H-H2O]+ 225.00274 145.2
[M+HCOO]- 287.00368 161.0
[M+CH3COO]- 301.01933 186.6
[M+Na-2H]- 262.98015 150.8
[M]+ 242.00493 161.3
[M]- 242.00603 161.3
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

No patent data available for this compound.