CID 51000389

1284992-47-7

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(C)CC(=O)O
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-5-10(6-8-15)14(4)9-11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKey
TWFKYFSKUWRGMN-UHFFFAOYSA-N
Compound name
2-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

272.1736 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 164.0
[M+Na]+ 295.16282 167.0
[M-H]- 271.16632 165.2
[M+NH4]+ 290.20742 178.5
[M+K]+ 311.13676 167.7
[M+H-H2O]+ 255.17086 157.4
[M+HCOO]- 317.17180 179.5
[M+CH3COO]- 331.18745 200.8
[M+Na-2H]- 293.14827 164.5
[M]+ 272.17305 163.1
[M]- 272.17415 163.1
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

patents stripe