CID 84048965

5-bromo-2,3-dihydro-1h-pyrrolizine-7-carboxylic acid

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1CC2=C(C=C(N2C1)Br)C(=O)O
InChI
InChI=1S/C8H8BrNO2/c9-7-4-5(8(11)12)6-2-1-3-10(6)7/h4H,1-3H2,(H,11,12)
InChIKey
UPMRPDZHVMYLTC-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 149.0
[M+Na]+ 251.96307 149.4
[M+NH4]+ 247.00767 153.2
[M+K]+ 267.93701 153.5
[M-H]- 227.96657 147.3
[M+Na-2H]- 249.94852 148.3
[M]+ 228.97330 147.1
[M]- 228.97440 147.1
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.