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]+ 271.201616 168.9
[M+Na]+ 293.183558 171.0
[M-H]- 269.187064 169.7
[M+NH4]+ 288.228163 185.2
[M+K]+ 309.157498 169.8
[M+H-H2O]+ 253.191600 162.7
[M+HCOO]- 315.192541 186.4
[M+CH3COO]- 329.208191 203.9
[M+Na-2H]- 291.169006 163.2
[M]+ 270.19379142 164.9
[M]- 270.19488858 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.