CID 71757946

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2(CC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-4-5-10(9-15)14(6-7-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
PKDRWNHLLPRVSI-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 166.0
[M+Na]+ 292.15194 175.2
[M+NH4]+ 287.19654 173.5
[M+K]+ 308.12588 171.8
[M-H]- 268.15544 172.5
[M+Na-2H]- 290.13739 172.2
[M]+ 269.16217 170.1
[M]- 269.16327 170.1
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

No patent data available for this compound.