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]+ 286.16490 167.1
[M+Na]+ 308.14684 171.6
[M-H]- 284.15034 168.6
[M+NH4]+ 303.19144 183.3
[M+K]+ 324.12078 172.0
[M+H-H2O]+ 268.15488 161.2
[M+HCOO]- 330.15582 183.8
[M+CH3COO]- 344.17147 198.7
[M+Na-2H]- 306.13229 165.7
[M]+ 285.15707 170.1
[M]- 285.15817 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