CID 15954388

3-(1-acetamido-2-propyl-pentyl)-4-amino-2-hydroxy-cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C16H30N2O4
SMILES
CCCC(CCC)C(C1C(CC(C1O)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C16H30N2O4/c1-4-6-10(7-5-2)14(18-9(3)19)13-12(17)8-11(15(13)20)16(21)22/h10-15,20H,4-8,17H2,1-3H3,(H,18,19)(H,21,22)
InChIKey
XSPLOYDAPYZKAP-UHFFFAOYSA-N
Compound name
3-(1-acetamido-2-propylpentyl)-4-amino-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22055 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.227826 180.0
[M+Na]+ 337.209768 181.5
[M-H]- 313.213274 179.3
[M+NH4]+ 332.254373 193.9
[M+K]+ 353.183708 179.8
[M+H-H2O]+ 297.217810 173.7
[M+HCOO]- 359.218751 195.4
[M+CH3COO]- 373.234401 211.2
[M+Na-2H]- 335.195216 172.3
[M]+ 314.22000142 176.6
[M]- 314.22109858 176.6
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.