CID 84669198

Schembl23496581

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1CN2C(=CC=C2Br)C1=O
InChI
InChI=1S/C7H6BrNO/c8-7-2-1-5-6(10)3-4-9(5)7/h1-2H,3-4H2
InChIKey
IPZYWUKVOAREOM-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.96329 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 136.8
[M+Na]+ 221.95251 150.8
[M-H]- 197.95601 143.5
[M+NH4]+ 216.99711 163.1
[M+K]+ 237.92645 140.7
[M+H-H2O]+ 181.96055 137.9
[M+HCOO]- 243.96149 158.8
[M+CH3COO]- 257.97714 180.3
[M+Na-2H]- 219.93796 142.6
[M]+ 198.96274 155.4
[M]- 198.96384 155.4
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