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 145.8
[M+Na]+ 251.96307 158.4
[M-H]- 227.96657 151.1
[M+NH4]+ 247.00767 170.1
[M+K]+ 267.93701 148.0
[M+H-H2O]+ 211.97111 146.7
[M+HCOO]- 273.97205 165.2
[M+CH3COO]- 287.98770 183.3
[M+Na-2H]- 249.94852 149.5
[M]+ 228.97330 163.6
[M]- 228.97440 163.6
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.