CID 84806187

1780899-28-6

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC1(CN(CCC1O)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-6-5-8(14)12(4,7-13)9(15)16/h8,14H,5-7H2,1-4H3,(H,15,16)
InChIKey
YNVGTUFITNZFBB-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 158.0
[M+Na]+ 282.131188 163.5
[M-H]- 258.134694 157.3
[M+NH4]+ 277.175793 174.4
[M+K]+ 298.105128 163.2
[M+H-H2O]+ 242.139230 153.7
[M+HCOO]- 304.140171 170.9
[M+CH3COO]- 318.155821 189.9
[M+Na-2H]- 280.116636 159.9
[M]+ 259.14142142 156.7
[M]- 259.14251858 156.7
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

patents stripe