CID 165486807

En300-1121684

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCO2)C(=O)O
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-8-6-15(7-9-16,12(17)18)11-5-4-10-20-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
KIFCXLGDYBHWLU-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(oxolan-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 170.0
[M+Na]+ 322.16250 172.8
[M-H]- 298.16600 173.4
[M+NH4]+ 317.20710 185.1
[M+K]+ 338.13644 173.3
[M+H-H2O]+ 282.17054 164.5
[M+HCOO]- 344.17148 181.8
[M+CH3COO]- 358.18713 196.6
[M+Na-2H]- 320.14795 170.5
[M]+ 299.17273 167.1
[M]- 299.17383 167.1
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

No patent data available for this compound.