CID 137963850

2225142-28-7

Structural Information

Molecular Formula
C16H27NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2(CCOCC2)C(=O)O
InChI
InChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-8-4-12(5-9-17)16(13(18)19)6-10-21-11-7-16/h12H,4-11H2,1-3H3,(H,18,19)
InChIKey
MPYLYOPWDKDUJQ-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 174.3
[M+Na]+ 336.17815 175.8
[M-H]- 312.18165 177.0
[M+NH4]+ 331.22275 186.8
[M+K]+ 352.15209 176.4
[M+H-H2O]+ 296.18619 167.6
[M+HCOO]- 358.18713 183.5
[M+CH3COO]- 372.20278 200.3
[M+Na-2H]- 334.16360 175.5
[M]+ 313.18838 169.6
[M]- 313.18948 169.6
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

No patent data available for this compound.