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
5
Annotation Hits

14
References

16514
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 185.0
[M+Na]+ 352.20942 185.6
[M-H]- 328.21292 180.5
[M+NH4]+ 347.25402 196.7
[M+K]+ 368.18336 183.5
[M+H-H2O]+ 312.21746 178.0
[M+HCOO]- 374.21840 200.9
[M+CH3COO]- 388.23405 210.2
[M+Na-2H]- 350.19487 180.6
[M]+ 329.21965 188.1
[M]- 329.22075 188.1
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.