CID 178200104

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

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(C=C(N2C1)C(=O)O)C=O
InChI
InChI=1S/C9H9NO3/c11-5-6-4-8(9(12)13)10-3-1-2-7(6)10/h4-5H,1-3H2,(H,12,13)
InChIKey
PCXYTEWUFYKSSB-UHFFFAOYSA-N
Compound name
1-formyl-6,7-dihydro-5H-pyrrolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 136.8
[M+Na]+ 202.047458 145.8
[M-H]- 178.050964 139.2
[M+NH4]+ 197.092063 159.4
[M+K]+ 218.021398 143.7
[M+H-H2O]+ 162.055500 131.8
[M+HCOO]- 224.056441 158.4
[M+CH3COO]- 238.072091 177.0
[M+Na-2H]- 200.032906 139.2
[M]+ 179.05769142 137.2
[M]- 179.05878858 137.2
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.