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]+ 260.14925 158.0
[M+Na]+ 282.13119 163.5
[M-H]- 258.13469 157.3
[M+NH4]+ 277.17579 174.4
[M+K]+ 298.10513 163.2
[M+H-H2O]+ 242.13923 153.7
[M+HCOO]- 304.14017 170.9
[M+CH3COO]- 318.15582 189.9
[M+Na-2H]- 280.11664 159.9
[M]+ 259.14142 156.7
[M]- 259.14252 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