CID 93133

N-lauroyl-l-glutamic acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

14
References

15509
Patents

329.2202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22748 183.3
[M+Na]+ 352.20942 186.5
[M+NH4]+ 347.25402 199.1
[M+K]+ 368.18336 183.8
[M-H]- 328.21292 178.2
[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

literature stripe

Patent stripe

patents stripe