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]+ 315.22783 180.0
[M+Na]+ 337.20977 181.5
[M-H]- 313.21327 179.3
[M+NH4]+ 332.25437 193.9
[M+K]+ 353.18371 179.8
[M+H-H2O]+ 297.21781 173.7
[M+HCOO]- 359.21875 195.4
[M+CH3COO]- 373.23440 211.2
[M+Na-2H]- 335.19522 172.3
[M]+ 314.22000 176.6
[M]- 314.22110 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.