CID 58405851

Ethyl 2-ethylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCC1(CCCN1)C(=O)OCC
InChI
InChI=1S/C9H17NO2/c1-3-9(6-5-7-10-9)8(11)12-4-2/h10H,3-7H2,1-2H3
InChIKey
RLLHZFFYWQCWAP-UHFFFAOYSA-N
Compound name
ethyl 2-ethylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.2
[M+Na]+ 194.11515 146.0
[M-H]- 170.11865 140.5
[M+NH4]+ 189.15975 162.1
[M+K]+ 210.08909 144.9
[M+H-H2O]+ 154.12319 134.9
[M+HCOO]- 216.12413 159.4
[M+CH3COO]- 230.13978 175.0
[M+Na-2H]- 192.10060 143.5
[M]+ 171.12538 138.3
[M]- 171.12648 138.3
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

patents stripe