CID 24728864

1-[(tert-butoxy)carbonyl]-4-hydroxypiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-11(16,5-7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14)
InChIKey
BLWCMYNTGFJVOC-UHFFFAOYSA-N
Compound name
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

245.12633 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 154.8
[M+Na]+ 268.115548 159.7
[M-H]- 244.119054 153.8
[M+NH4]+ 263.160153 171.4
[M+K]+ 284.089488 159.6
[M+H-H2O]+ 228.123590 150.3
[M+HCOO]- 290.124531 168.0
[M+CH3COO]- 304.140181 185.5
[M+Na-2H]- 266.100996 157.6
[M]+ 245.12578142 152.7
[M]- 245.12687858 152.7
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