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]+ 226.180156 157.4
[M+Na]+ 248.162098 163.0
[M-H]- 224.165604 159.7
[M+NH4]+ 243.206703 179.0
[M+K]+ 264.136038 161.2
[M+H-H2O]+ 208.170140 151.5
[M+HCOO]- 270.171081 175.8
[M+CH3COO]- 284.186731 190.5
[M+Na-2H]- 246.147546 155.9
[M]+ 225.17233142 157.3
[M]- 225.17342858 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.