CID 57355502

42926-22-7

Structural Information

Molecular Formula
C17H31NO5
SMILES
CCCCCCCCCCCC(=O)OC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-17(22)14(18)12-13-15(19)20/h14H,2-13,18H2,1H3,(H,19,20)/t14-/m0/s1
InChIKey
KZRXPHCVIMWWDS-AWEZNQCLSA-N
Compound name
(4S)-4-amino-5-dodecanoyloxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6853
Patents

329.2202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22748 183.2
[M+Na]+ 352.20942 186.7
[M+NH4]+ 347.25402 196.3
[M+K]+ 368.18336 183.8
[M-H]- 328.21292 178.5
[M+Na-2H]- 350.19487 179.9
[M]+ 329.21965 181.4
[M]- 329.22075 181.4
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