CID 84694122

1780355-27-2

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1C(CN2C1=NC=C2Br)C(=O)O
InChI
InChI=1S/C7H7BrN2O2/c8-5-2-9-6-1-4(7(11)12)3-10(5)6/h2,4H,1,3H2,(H,11,12)
InChIKey
YJDRWZMYCKQQLM-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 143.3
[M+Na]+ 252.95831 156.2
[M-H]- 228.96181 147.5
[M+NH4]+ 248.00291 166.3
[M+K]+ 268.93225 146.2
[M+H-H2O]+ 212.96635 143.6
[M+HCOO]- 274.96729 161.9
[M+CH3COO]- 288.98294 183.1
[M+Na-2H]- 250.94376 147.5
[M]+ 229.96854 161.4
[M]- 229.96964 161.4
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

No patent data available for this compound.