CID 24730278

889955-52-6

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCOC(=O)CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-5-19-12(17)8-11(16)10-6-7-15(9-10)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3
InChIKey
XJQOTLQCHLIYFO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

285.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 167.1
[M+Na]+ 308.146838 171.6
[M-H]- 284.150344 168.6
[M+NH4]+ 303.191443 183.3
[M+K]+ 324.120778 172.0
[M+H-H2O]+ 268.154880 161.2
[M+HCOO]- 330.155821 183.8
[M+CH3COO]- 344.171471 198.7
[M+Na-2H]- 306.132286 165.7
[M]+ 285.15707142 170.1
[M]- 285.15816858 170.1
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