CID 83913297

2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-hydroxyacetic acid

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C(=O)O)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(17)13-6-4-5-8(7-13)9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,15,16)
InChIKey
ZSENIKNCGSDPQI-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.2
[M+Na]+ 282.13119 162.5
[M-H]- 258.13469 157.8
[M+NH4]+ 277.17579 173.1
[M+K]+ 298.10513 162.4
[M+H-H2O]+ 242.13923 153.5
[M+HCOO]- 304.14017 171.1
[M+CH3COO]- 318.15582 190.0
[M+Na-2H]- 280.11664 159.0
[M]+ 259.14142 156.4
[M]- 259.14252 156.4
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

No patent data available for this compound.