CID 74605

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCOC(=O)CN1CCC(CC1)C(=O)OCC
InChI
InChI=1S/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKey
OBXXSRPAQLOXJN-UHFFFAOYSA-N
Compound name
ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.8
[M+Na]+ 266.13628 160.8
[M-H]- 242.13978 157.8
[M+NH4]+ 261.18088 172.7
[M+K]+ 282.11022 160.7
[M+H-H2O]+ 226.14432 149.7
[M+HCOO]- 288.14526 174.1
[M+CH3COO]- 302.16091 192.1
[M+Na-2H]- 264.12173 157.5
[M]+ 243.14651 157.5
[M]- 243.14761 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe