CID 6428976

5-(3-hydroxypropionyl)-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CC2=CC=C(N2C1)C(=O)CCO
InChI
InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2
InChIKey
DLLQYHQNPSDCSK-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.6
[M+Na]+ 202.08386 148.7
[M+NH4]+ 197.12846 147.6
[M+K]+ 218.05780 147.2
[M-H]- 178.08736 139.3
[M+Na-2H]- 200.06931 142.2
[M]+ 179.09409 140.4
[M]- 179.09519 140.4
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.