CID 71779240

1396555-79-5

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-5-11(16,7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14)
InChIKey
ANMQQEWQWWIFEP-UHFFFAOYSA-N
Compound name
3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

245.12633 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.8
[M+Na]+ 268.11555 159.7
[M-H]- 244.11905 153.8
[M+NH4]+ 263.16015 171.4
[M+K]+ 284.08949 159.6
[M+H-H2O]+ 228.12359 150.3
[M+HCOO]- 290.12453 168.0
[M+CH3COO]- 304.14018 185.5
[M+Na-2H]- 266.10100 157.6
[M]+ 245.12578 152.7
[M]- 245.12688 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

literature stripe

Patent stripe

patents stripe