CID 11370477

Disodium n-lauroyl aspartate

Structural Information

Molecular Formula
C16H29NO5
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-13(16(21)22)12-15(19)20/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
InChIKey
VCRXMSMANOGRCM-ZDUSSCGKSA-N
Compound name
(2S)-2-(dodecanoylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1221
Patents

315.20456 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.21184 179.1
[M+Na]+ 338.19378 182.5
[M+NH4]+ 333.23838 181.2
[M+K]+ 354.16772 180.0
[M-H]- 314.19728 174.0
[M+Na-2H]- 336.17923 175.9
[M]+ 315.20401 177.2
[M]- 315.20511 177.2
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