CID 21935337

2-((tert-butoxycarbonyl)amino)-3-(1-methylpiperidin-4-yl)propanoic acid

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CC(C)(C)OC(=O)NC(CC1CCN(CC1)C)C(=O)O
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11(12(17)18)9-10-5-7-16(4)8-6-10/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKey
VVKTUQJMJLIFES-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.18927 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19655 168.0
[M+Na]+ 309.17849 173.3
[M+NH4]+ 304.22309 172.1
[M+K]+ 325.15243 171.7
[M-H]- 285.18199 165.7
[M+Na-2H]- 307.16394 168.1
[M]+ 286.18872 167.5
[M]- 286.18982 167.5
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

No patent data available for this compound.