CID 10061106

502482-52-2

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC(=O)O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-4-12(17,5-7-13)8-9(14)15/h17H,4-8H2,1-3H3,(H,14,15)
InChIKey
CTGKOZWOKCERFN-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
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 163.7
[M-H]- 258.13469 158.1
[M+NH4]+ 277.17579 175.3
[M+K]+ 298.10513 163.4
[M+H-H2O]+ 242.13923 154.6
[M+HCOO]- 304.14017 172.1
[M+CH3COO]- 318.15582 188.5
[M+Na-2H]- 280.11664 161.6
[M]+ 259.14142 157.5
[M]- 259.14252 157.5
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