CID 53442774

2-(1-(tert-butoxycarbonyl)piperidin-3-yl)propanoic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C1CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-9(11(15)16)10-6-5-7-14(8-10)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKey
CWDDDCUAHKFSJQ-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

257.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 160.4
[M+Na]+ 280.15194 163.9
[M-H]- 256.15544 160.3
[M+NH4]+ 275.19654 175.2
[M+K]+ 296.12588 163.7
[M+H-H2O]+ 240.15998 154.5
[M+HCOO]- 302.16092 173.4
[M+CH3COO]- 316.17657 193.2
[M+Na-2H]- 278.13739 160.0
[M]+ 257.16217 158.5
[M]- 257.16327 158.5
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