CID 15954390

3-(1-acetamido-2-methyl-butyl)-4-amino-2-hydroxy-cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCC(C)C(C1C(CC(C1O)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C13H24N2O4/c1-4-6(2)11(15-7(3)16)10-9(14)5-8(12(10)17)13(18)19/h6,8-12,17H,4-5,14H2,1-3H3,(H,15,16)(H,18,19)
InChIKey
VAMBNWZNNAAWNL-UHFFFAOYSA-N
Compound name
3-(1-acetamido-2-methylbutyl)-4-amino-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 166.5
[M+Na]+ 295.16282 169.4
[M-H]- 271.16632 166.4
[M+NH4]+ 290.20742 182.2
[M+K]+ 311.13676 168.3
[M+H-H2O]+ 255.17086 160.8
[M+HCOO]- 317.17180 183.0
[M+CH3COO]- 331.18745 202.3
[M+Na-2H]- 293.14827 160.4
[M]+ 272.17305 162.1
[M]- 272.17415 162.1
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.