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

33
Patents

213.97418 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 137.8
[M+Na]+ 236.96340 150.3
[M-H]- 212.96690 141.3
[M+NH4]+ 232.00800 159.8
[M+K]+ 252.93734 139.0
[M+H-H2O]+ 196.97144 138.0
[M+HCOO]- 258.97238 155.1
[M+CH3COO]- 272.98803 152.5
[M+Na-2H]- 234.94885 144.7
[M]+ 213.97363 153.3
[M]- 213.97473 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