CID 116489491

1698748-34-3

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCC2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-7-15(8-10-16,12(17)18)11-5-4-6-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
QHOAPZKLALAPPO-UHFFFAOYSA-N
Compound name
4-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 169.1
[M+Na]+ 306.16756 170.6
[M-H]- 282.17106 171.5
[M+NH4]+ 301.21216 177.9
[M+K]+ 322.14150 173.0
[M+H-H2O]+ 266.17560 158.1
[M+HCOO]- 328.17654 180.4
[M+CH3COO]- 342.19219 199.0
[M+Na-2H]- 304.15301 169.3
[M]+ 283.17779 174.3
[M]- 283.17889 174.3
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

No patent data available for this compound.