CID 15954386

(+/-)-t-3-(1'acetylamino-2'-ethyl)butyl-c-4-aminocyclopentan-r-1-carboxylic acid

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CCC(CC)C([C@H]1C[C@@H](C[C@@H]1N)C(=O)O)NC(=O)C
InChI
InChI=1S/C14H26N2O3/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15/h9-13H,4-7,15H2,1-3H3,(H,16,17)(H,18,19)/t10-,11-,12-,13?/m0/s1
InChIKey
AGZRFNIGMKUEHW-TXRDPFJMSA-N
Compound name
(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.19434 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20162 168.9
[M+Na]+ 293.18356 171.0
[M-H]- 269.18706 169.7
[M+NH4]+ 288.22816 185.2
[M+K]+ 309.15750 169.8
[M+H-H2O]+ 253.19160 162.7
[M+HCOO]- 315.19254 186.4
[M+CH3COO]- 329.20819 203.9
[M+Na-2H]- 291.16901 163.2
[M]+ 270.19379 164.9
[M]- 270.19489 164.9
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.