CID 50853139

887591-65-3

Structural Information

Molecular Formula
C13H23NO4
SMILES
CCC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-5-13(10(15)16)7-6-8-14(9-13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)
InChIKey
NKZAZUYDWWUQBL-UHFFFAOYSA-N
Compound name
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

257.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 160.1
[M+Na]+ 280.15194 164.8
[M-H]- 256.15544 160.2
[M+NH4]+ 275.19654 177.1
[M+K]+ 296.12588 164.4
[M+H-H2O]+ 240.15998 155.2
[M+HCOO]- 302.16092 174.0
[M+CH3COO]- 316.17657 191.8
[M+Na-2H]- 278.13739 162.3
[M]+ 257.16217 159.1
[M]- 257.16327 159.1
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