CID 1512540

3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}propanoic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
XWZDPNBLQJCKNC-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

565
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 161.4
[M+Na]+ 280.151938 165.1
[M-H]- 256.155444 161.1
[M+NH4]+ 275.196543 176.2
[M+K]+ 296.125878 164.3
[M+H-H2O]+ 240.159980 155.2
[M+HCOO]- 302.160921 175.2
[M+CH3COO]- 316.176571 192.2
[M+Na-2H]- 278.137386 162.1
[M]+ 257.16217142 160.0
[M]- 257.16326858 160.0
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