CID 15954389

Schembl13929493

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCCCC(C1C(CC(C1O)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C13H24N2O4/c1-3-4-5-10(15-7(2)16)11-9(14)6-8(12(11)17)13(18)19/h8-12,17H,3-6,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKey
HZGIBDSIQXIKFE-UHFFFAOYSA-N
Compound name
3-(1-acetamidopentyl)-4-amino-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.1736 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 166.2
[M+Na]+ 295.16282 169.3
[M-H]- 271.16632 166.0
[M+NH4]+ 290.20742 181.9
[M+K]+ 311.13676 167.5
[M+H-H2O]+ 255.17086 160.3
[M+HCOO]- 317.17180 183.6
[M+CH3COO]- 331.18745 201.2
[M+Na-2H]- 293.14827 161.3
[M]+ 272.17305 162.4
[M]- 272.17415 162.4
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