CID 45480312

872850-31-2

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-13(4,6-8-14)9-10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKey
ZPWNCZDQOSXJSA-UHFFFAOYSA-N
Compound name
2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 160.4
[M+Na]+ 280.15194 167.8
[M+NH4]+ 275.19654 166.8
[M+K]+ 296.12588 163.4
[M-H]- 256.15544 158.1
[M+Na-2H]- 278.13739 163.1
[M]+ 257.16217 160.6
[M]- 257.16327 160.6
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