CID 75430890

4-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)CCCC(=O)O
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11-6-9-16(10-7-11)8-4-5-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
CHTDHFJEJGLFIP-UHFFFAOYSA-N
Compound name
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.18927 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.196546 169.7
[M+Na]+ 309.178488 172.0
[M-H]- 285.181994 169.2
[M+NH4]+ 304.223093 183.0
[M+K]+ 325.152428 171.1
[M+H-H2O]+ 269.186530 162.9
[M+HCOO]- 331.187471 184.2
[M+CH3COO]- 345.203121 200.4
[M+Na-2H]- 307.163936 170.3
[M]+ 286.18872142 167.9
[M]- 286.18981858 167.9
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