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 169.2
[M+Na]+ 309.17849 171.3
[M-H]- 285.18199 168.8
[M+NH4]+ 304.22309 182.4
[M+K]+ 325.15243 170.9
[M+H-H2O]+ 269.18653 162.6
[M+HCOO]- 331.18747 182.8
[M+CH3COO]- 345.20312 201.3
[M+Na-2H]- 307.16394 168.7
[M]+ 286.18872 166.7
[M]- 286.18982 166.7
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.