CID 3055951

2-(2-methyl-1,2,3,3a,4,5,6,6a-octahydaocyclopenta(b)pyrrol-1-yl)ethyl propionate

Structural Information

Molecular Formula
C13H23NO2
SMILES
CCC(=O)OCCN1C(CC2C1CCC2)C
InChI
InChI=1S/C13H23NO2/c1-3-13(15)16-8-7-14-10(2)9-11-5-4-6-12(11)14/h10-12H,3-9H2,1-2H3
InChIKey
RMBYQAYWUMPCPW-UHFFFAOYSA-N
Compound name
2-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 155.5
[M+Na]+ 248.16210 163.0
[M+NH4]+ 243.20670 163.2
[M+K]+ 264.13604 161.0
[M-H]- 224.16560 155.2
[M+Na-2H]- 246.14755 155.8
[M]+ 225.17233 156.0
[M]- 225.17343 156.0
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.