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]+ 314.196206 174.3
[M+Na]+ 336.178148 175.8
[M-H]- 312.181654 177.0
[M+NH4]+ 331.222753 186.8
[M+K]+ 352.152088 176.4
[M+H-H2O]+ 296.186190 167.6
[M+HCOO]- 358.187131 183.5
[M+CH3COO]- 372.202781 200.3
[M+Na-2H]- 334.163596 175.5
[M]+ 313.18838142 169.6
[M]- 313.18947858 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.