CID 86811583

Ethyl 3-(propan-2-yl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCOC(=O)C1(CCNC1)C(C)C
InChI
InChI=1S/C10H19NO2/c1-4-13-9(12)10(8(2)3)5-6-11-7-10/h8,11H,4-7H2,1-3H3
InChIKey
IKMRYBGLRUERCT-UHFFFAOYSA-N
Compound name
ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 145.0
[M+Na]+ 208.130808 150.1
[M-H]- 184.134314 145.2
[M+NH4]+ 203.175413 166.3
[M+K]+ 224.104748 149.3
[M+H-H2O]+ 168.138850 139.8
[M+HCOO]- 230.139791 162.9
[M+CH3COO]- 244.155441 178.9
[M+Na-2H]- 206.116256 146.6
[M]+ 185.14104142 142.8
[M]- 185.14213858 142.8
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.