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 157.4
[M+Na]+ 248.16210 163.0
[M-H]- 224.16560 159.7
[M+NH4]+ 243.20670 179.0
[M+K]+ 264.13604 161.2
[M+H-H2O]+ 208.17014 151.5
[M+HCOO]- 270.17108 175.8
[M+CH3COO]- 284.18673 190.5
[M+Na-2H]- 246.14755 155.9
[M]+ 225.17233 157.3
[M]- 225.17343 157.3
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.