CID 21180615

1784047-04-6

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-10(12(16)17)9-11-5-7-15(8-6-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKey
QKXPOOWSSUBXJT-UHFFFAOYSA-N
Compound name
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 165.0
[M+Na]+ 294.16756 168.1
[M-H]- 270.17106 164.7
[M+NH4]+ 289.21216 179.3
[M+K]+ 310.14150 167.7
[M+H-H2O]+ 254.17560 158.9
[M+HCOO]- 316.17654 177.6
[M+CH3COO]- 330.19219 196.2
[M+Na-2H]- 292.15301 164.1
[M]+ 271.17779 163.4
[M]- 271.17889 163.4
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